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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/random_loop-2291cf24/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/random_loop-2291cf24/inputs/seq.fa: 1 curr_seq: _GGGUAACGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGUAACGCC 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _((......))_ nucl1: 1, chain1: 0, <---> nucl2: 8, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 8 nucl1: 0, chain1: 0, <---> nucl2: 9, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 9 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _...(...).._ nucl1: 3, chain1: 0, <---> nucl2: 7, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 7 RNAStructure::tertiaryStrcWeight = 1.000000 3D structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 5 , with interaction type: GA_WHt EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_DIST_RNA) chem. 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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_DIST_RNA) chem. 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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: 204.362482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: 204.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916887 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 239.279 (S_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: -342.251912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.251912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.343571 (E_RNA) where: Base-Base interactions energy: -61.862 where: short stacking energy: -31.024 Base-Backbone interact. energy: -1.003 local terms energy: -36.478266 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -7.177 Dist. restrs. and SS energy: -242.908 (S_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: -340.836734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.836734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.658449 (E_RNA) where: Base-Base interactions energy: -59.064 where: short stacking energy: -23.869 Base-Backbone interact. energy: -0.490 local terms energy: -18.105152 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -4.465 flat angles C4'-P-C4' energy: -1.677 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: -263.178 (S_DIST_RNA) chem. 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: -558.554216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.554216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.938776 (E_RNA) where: Base-Base interactions energy: -44.709 where: short stacking energy: -14.676 Base-Backbone interact. energy: -0.073 local terms energy: -26.156640 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.806 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: -487.615 (S_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: -327.386631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.386631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.203420 (E_RNA) where: Base-Base interactions energy: -29.716 where: short stacking energy: -6.261 Base-Backbone interact. energy: 1.225 local terms energy: -26.712469 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: -272.183 (S_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: -635.406139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.406139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.375041 (E_RNA) where: Base-Base interactions energy: -47.823 where: short stacking energy: -22.855 Base-Backbone interact. energy: -0.087 local terms energy: -23.464575 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: -564.031 (S_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: -578.682324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.682324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.036928 (E_RNA) where: Base-Base interactions energy: -51.776 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.160 local terms energy: -29.101026 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: -497.645 (S_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: -396.112093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.112093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.060816 (E_RNA) where: Base-Base interactions energy: -61.903 where: short stacking energy: -23.816 Base-Backbone interact. energy: -0.003 local terms energy: -32.154793 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: -302.051 (S_DIST_RNA) chem. 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: -618.155807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.155807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.030652 (E_RNA) where: Base-Base interactions energy: -50.297 where: short stacking energy: -20.931 Base-Backbone interact. energy: -0.540 local terms energy: -26.193773 where: bonds (distance) C4'-P energy: -0.894 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: -541.125 (S_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: -396.271213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.271213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.378139 (E_RNA) where: Base-Base interactions energy: -57.169 where: short stacking energy: -31.715 Base-Backbone interact. energy: -0.000 local terms energy: -27.208576 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -3.691 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: -311.893 (S_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: -384.266048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.266048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.530666 (E_RNA) where: Base-Base interactions energy: -48.818 where: short stacking energy: -16.641 Base-Backbone interact. energy: -0.080 local terms energy: -15.632194 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -3.101 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: -319.735 (S_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: -439.627502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.627502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.843954 (E_RNA) where: Base-Base interactions energy: -61.939 where: short stacking energy: -20.925 Base-Backbone interact. energy: -0.453 local terms energy: -28.451606 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -4.962 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: -348.784 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1019.491752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.491752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.269862 (E_RNA) where: Base-Base interactions energy: -64.857 where: short stacking energy: -26.579 Base-Backbone interact. energy: -0.113 local terms energy: -27.299386 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -1.810 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: -927.222 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -493.045313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.045313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.320794 (E_RNA) where: Base-Base interactions energy: -49.573 where: short stacking energy: -22.156 Base-Backbone interact. energy: -1.057 local terms energy: -28.689825 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: -413.725 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1135.062714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.062714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.920709 (E_RNA) where: Base-Base interactions energy: -53.817 where: short stacking energy: -17.569 Base-Backbone interact. energy: -0.064 local terms energy: -25.040268 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: -1056.142 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -653.581226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.581226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.568096 (E_RNA) where: Base-Base interactions energy: -32.582 where: short stacking energy: -12.087 Base-Backbone interact. energy: -0.195 local terms energy: -21.790786 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: 0.833 Dist. restrs. and SS energy: -599.013 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -726.945316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.945316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.387294 (E_RNA) where: Base-Base interactions energy: -68.741 where: short stacking energy: -35.039 Base-Backbone interact. energy: -0.000 local terms energy: -34.645703 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -1.495 tors. eta vs tors. theta energy: -9.873 Dist. restrs. and SS energy: -623.558 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -554.574879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.574879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.246737 (E_RNA) where: Base-Base interactions energy: -63.797 where: short stacking energy: -30.577 Base-Backbone interact. energy: -0.161 local terms energy: -29.288205 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: -461.328 (S_DIST_RNA) chem. 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: -772.734076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.734076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.864454 (E_RNA) where: Base-Base interactions energy: -63.678 where: short stacking energy: -23.978 Base-Backbone interact. energy: -0.039 local terms energy: -27.147333 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: -681.870 (S_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: -605.633842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.633842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.124195 (E_RNA) where: Base-Base interactions energy: -58.668 where: short stacking energy: -27.673 Base-Backbone interact. energy: -0.923 local terms energy: -26.533495 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: -519.510 (S_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: -631.923909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.923909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.377301 (E_RNA) where: Base-Base interactions energy: -57.130 where: short stacking energy: -16.325 Base-Backbone interact. energy: -0.007 local terms energy: -19.240151 where: bonds (distance) C4'-P energy: -4.658 bonds (distance) P-C4' energy: -1.977 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: -555.547 (S_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: 4 Temperature: 0.900000 Total energy: -1515.119096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.119096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.251312 (E_RNA) where: Base-Base interactions energy: -70.334 where: short stacking energy: -27.038 Base-Backbone interact. energy: 0.363 local terms energy: -23.280490 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: 1.378 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: -1421.868 (S_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: 4 Temperature: 0.950000 Total energy: -575.839276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.839276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.080751 (E_RNA) where: Base-Base interactions energy: -57.340 where: short stacking energy: -29.110 Base-Backbone interact. energy: -0.003 local terms energy: -31.737459 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: -486.759 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1490.242671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.242671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.299919 (E_RNA) where: Base-Base interactions energy: -50.250 where: short stacking energy: -15.802 Base-Backbone interact. energy: -0.098 local terms energy: -27.952177 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: -1411.943 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -647.214027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.214027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.208232 (E_RNA) where: Base-Base interactions energy: -57.669 where: short stacking energy: -21.888 Base-Backbone interact. energy: -0.393 local terms energy: -27.145985 where: bonds (distance) C4'-P energy: -5.236 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.110 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: -562.006 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -974.482663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.482663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.570910 (E_RNA) where: Base-Base interactions energy: -68.192 where: short stacking energy: -32.067 Base-Backbone interact. energy: -0.000 local terms energy: -36.378451 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -8.684 Dist. restrs. and SS energy: -869.912 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1118.605505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.605505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.116377 (E_RNA) where: Base-Base interactions energy: -32.300 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.033 local terms energy: -26.783652 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: -1059.489 (S_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: -916.586926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.586926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.060703 (E_RNA) where: Base-Base interactions energy: -66.379 where: short stacking energy: -28.460 Base-Backbone interact. energy: -0.867 local terms energy: -25.815005 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: 0.914 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: -823.526 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -773.188456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.188456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.199127 (E_RNA) where: Base-Base interactions energy: -69.020 where: short stacking energy: -31.516 Base-Backbone interact. energy: -0.000 local terms energy: -28.178684 where: bonds (distance) C4'-P energy: -4.078 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: -675.989 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -804.128441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.128441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.261202 (E_RNA) where: Base-Base interactions energy: -62.551 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.002 local terms energy: -13.708785 where: bonds (distance) C4'-P energy: -5.200 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: 0.897 flat angles P-C4'-P energy: 0.710 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: -727.867 (S_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: 4 Temperature: 1.350000 Total energy: -757.199278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.199278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.768851 (E_RNA) where: Base-Base interactions energy: -61.527 where: short stacking energy: -33.445 Base-Backbone interact. energy: -0.001 local terms energy: -34.240663 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: -661.430 (S_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: 5 Temperature: 0.900000 Total energy: -1904.580902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.580902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.513886 (E_RNA) where: Base-Base interactions energy: -69.264 where: short stacking energy: -28.590 Base-Backbone interact. energy: -0.047 local terms energy: -32.203315 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.873 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -6.750 Dist. restrs. and SS energy: -1803.067 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1895.223001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.223001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.204109 (E_RNA) where: Base-Base interactions energy: -64.290 where: short stacking energy: -23.904 Base-Backbone interact. energy: -0.099 local terms energy: -31.815489 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.973 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: -1799.019 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -691.716993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.716993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.070594 (E_RNA) where: Base-Base interactions energy: -58.673 where: short stacking energy: -24.671 Base-Backbone interact. energy: -0.039 local terms energy: -29.357726 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: -603.646 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1093.980566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.980566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.101581 (E_RNA) where: Base-Base interactions energy: -64.590 where: short stacking energy: -24.888 Base-Backbone interact. energy: -1.063 local terms energy: -33.447880 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: -994.879 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -742.316087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.316087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.601612 (E_RNA) where: Base-Base interactions energy: -58.443 where: short stacking energy: -25.832 Base-Backbone interact. energy: -0.131 local terms energy: -25.028117 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -1.929 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: -658.714 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1420.805029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.805029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.564356 (E_RNA) where: Base-Base interactions energy: -24.769 where: short stacking energy: -13.397 Base-Backbone interact. energy: -0.784 local terms energy: -28.011408 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: -1367.241 (S_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: -1053.940305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.940305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.893892 (E_RNA) where: Base-Base interactions energy: -63.683 where: short stacking energy: -26.957 Base-Backbone interact. energy: -0.552 local terms energy: -30.659130 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -8.197 Dist. restrs. and SS energy: -959.046 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1000.946209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.946209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.143329 (E_RNA) where: Base-Base interactions energy: -56.530 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.030 local terms energy: -25.583160 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: -918.803 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -921.093465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.093465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.087281 (E_RNA) where: Base-Base interactions energy: -65.066 where: short stacking energy: -21.425 Base-Backbone interact. energy: -0.003 local terms energy: -26.018213 where: bonds (distance) C4'-P energy: -3.346 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: -830.006 (S_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: 5 Temperature: 1.350000 Total energy: -916.062867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.062867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.615755 (E_RNA) where: Base-Base interactions energy: -50.892 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.712 local terms energy: -26.011632 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -4.031 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: -838.447 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -2186.895123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.895123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.925130 (E_RNA) where: Base-Base interactions energy: -67.567 where: short stacking energy: -21.755 Base-Backbone interact. energy: -0.002 local terms energy: -26.356584 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -2.225 tors. eta vs tors. theta energy: -7.078 Dist. restrs. and SS energy: -2092.970 (S_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: 6 Temperature: 0.950000 Total energy: -2257.123738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.123738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.630427 (E_RNA) where: Base-Base interactions energy: -66.175 where: short stacking energy: -21.064 Base-Backbone interact. energy: -0.037 local terms energy: -25.418446 where: bonds (distance) C4'-P energy: -2.926 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -7.710 Dist. restrs. and SS energy: -2165.493 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1209.424261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.424261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.842305 (E_RNA) where: Base-Base interactions energy: -66.054 where: short stacking energy: -31.808 Base-Backbone interact. energy: -0.763 local terms energy: -35.025703 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: -1107.582 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -821.329413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.329413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.181363 (E_RNA) where: Base-Base interactions energy: -58.398 where: short stacking energy: -20.998 Base-Backbone interact. energy: -0.076 local terms energy: -30.706652 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.465 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: -732.148 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1598.396778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.396778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.533207 (E_RNA) where: Base-Base interactions energy: -34.697 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.025 local terms energy: -24.811148 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: -1538.864 (S_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: 6 Temperature: 1.150000 Total energy: -920.473788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.473788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.793921 (E_RNA) where: Base-Base interactions energy: -44.313 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.008 local terms energy: -25.472466 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.400 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: -850.680 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1199.164895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.164895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.868196 (E_RNA) where: Base-Base interactions energy: -65.501 where: short stacking energy: -31.792 Base-Backbone interact. energy: -0.439 local terms energy: -36.928106 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -8.811 Dist. restrs. and SS energy: -1096.297 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -1203.552371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.552371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.935186 (E_RNA) where: Base-Base interactions energy: -51.708 where: short stacking energy: -24.654 Base-Backbone interact. energy: -0.002 local terms energy: -24.225556 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -0.383 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: -1127.617 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1091.693644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.813672 (E_RNA) where: Base-Base interactions energy: -52.853 where: short stacking energy: -18.563 Base-Backbone interact. energy: 0.406 local terms energy: -28.366753 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: -1010.880 (S_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: -1140.471253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.471253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.322213 (E_RNA) where: Base-Base interactions energy: -57.327 where: short stacking energy: -24.726 Base-Backbone interact. energy: 1.870 local terms energy: -16.865598 where: bonds (distance) C4'-P energy: -2.931 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: -1068.149 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -2334.155687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.155687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.199057 (E_RNA) where: Base-Base interactions energy: -67.200 where: short stacking energy: -29.065 Base-Backbone interact. energy: -0.080 local terms energy: -31.919142 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: -2234.957 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -2639.982684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.982684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.172571 (E_RNA) where: Base-Base interactions energy: -68.351 where: short stacking energy: -26.048 Base-Backbone interact. energy: -0.107 local terms energy: -22.714649 where: bonds (distance) C4'-P energy: -4.943 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -0.461 tors. eta vs tors. theta energy: -6.876 Dist. restrs. and SS energy: -2548.810 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1332.715243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.715243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.661104 (E_RNA) where: Base-Base interactions energy: -66.698 where: short stacking energy: -33.010 Base-Backbone interact. energy: -0.000 local terms energy: -34.962569 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -6.944 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: -1231.054 (S_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: 7 Temperature: 1.050000 Total energy: -1774.273543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.273543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.542091 (E_RNA) where: Base-Base interactions energy: -39.267 where: short stacking energy: -18.568 Base-Backbone interact. energy: -0.128 local terms energy: -24.147369 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: -1710.731 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -937.111796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.111796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.308701 (E_RNA) where: Base-Base interactions energy: -62.928 where: short stacking energy: -22.729 Base-Backbone interact. energy: -0.017 local terms energy: -27.364591 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -3.685 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: -846.803 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1369.113680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.113680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.384433 (E_RNA) where: Base-Base interactions energy: -59.938 where: short stacking energy: -24.441 Base-Backbone interact. energy: -0.000 local terms energy: -30.446709 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -7.599 Dist. restrs. and SS energy: -1278.729 (S_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: 7 Temperature: 1.200000 Total energy: -1293.834280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.834280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.950358 (E_RNA) where: Base-Base interactions energy: -47.845 where: short stacking energy: -16.752 Base-Backbone interact. energy: 1.161 local terms energy: -25.266873 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: -1221.884 (S_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: -1379.298508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.298508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.446487 (E_RNA) where: Base-Base interactions energy: -55.618 where: short stacking energy: -29.910 Base-Backbone interact. energy: -0.000 local terms energy: -24.828350 where: bonds (distance) C4'-P energy: -1.341 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: -1298.852 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1271.866152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.866152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.638354 (E_RNA) where: Base-Base interactions energy: -48.851 where: short stacking energy: -22.164 Base-Backbone interact. energy: -0.000 local terms energy: -34.787390 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: -1188.228 (S_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: -1348.509067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.509067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.730755 (E_RNA) where: Base-Base interactions energy: -54.838 where: short stacking energy: -24.854 Base-Backbone interact. energy: -0.015 local terms energy: -22.877665 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -3.520 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: -1270.778 (S_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: -3095.246003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.246003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.627901 (E_RNA) where: Base-Base interactions energy: -67.726 where: short stacking energy: -22.535 Base-Backbone interact. energy: -0.098 local terms energy: -28.803969 where: bonds (distance) C4'-P energy: -4.362 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: -2998.618 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2445.549693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.405961 (E_RNA) where: Base-Base interactions energy: -69.733 where: short stacking energy: -27.523 Base-Backbone interact. energy: -0.002 local terms energy: -32.670767 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: -2343.144 (S_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: 8 Temperature: 1.000000 Total energy: -1895.897847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.897847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.470997 (E_RNA) where: Base-Base interactions energy: -55.977 where: short stacking energy: -19.559 Base-Backbone interact. energy: -0.082 local terms energy: -22.412704 where: bonds (distance) C4'-P energy: -6.426 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: 0.491 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: -1817.427 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1455.256106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.256106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.661819 (E_RNA) where: Base-Base interactions energy: -61.397 where: short stacking energy: -31.393 Base-Backbone interact. energy: -0.379 local terms energy: -28.885903 where: bonds (distance) C4'-P energy: -2.509 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -7.502 Dist. restrs. and SS energy: -1364.594 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1510.258463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.258463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.627579 (E_RNA) where: Base-Base interactions energy: -63.228 where: short stacking energy: -30.764 Base-Backbone interact. energy: 0.478 local terms energy: -33.877185 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -7.725 Dist. restrs. and SS energy: -1413.631 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1052.543953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.543953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.154019 (E_RNA) where: Base-Base interactions energy: -57.081 where: short stacking energy: -24.796 Base-Backbone interact. energy: -0.011 local terms energy: -36.062127 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: -959.390 (S_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: 8 Temperature: 1.200000 Total energy: -1523.143257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.143257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.857253 (E_RNA) where: Base-Base interactions energy: -61.385 where: short stacking energy: -30.651 Base-Backbone interact. energy: -0.000 local terms energy: -34.472159 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.014 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -7.644 Dist. restrs. and SS energy: -1427.286 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1664.978867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.978867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.464523 (E_RNA) where: Base-Base interactions energy: -61.044 where: short stacking energy: -16.916 Base-Backbone interact. energy: -0.339 local terms energy: -24.081765 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -1.089 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: -1579.514 (S_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: -1539.421275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.421275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.550419 (E_RNA) where: Base-Base interactions energy: -53.613 where: short stacking energy: -23.666 Base-Backbone interact. energy: -1.267 local terms energy: -24.670779 where: bonds (distance) C4'-P energy: -4.313 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: -1459.871 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1462.485802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.485802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.971969 (E_RNA) where: Base-Base interactions energy: -61.948 where: short stacking energy: -26.110 Base-Backbone interact. energy: -1.055 local terms energy: -26.969216 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -1.226 tors. eta vs tors. theta energy: -8.745 Dist. restrs. and SS energy: -1372.514 (S_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: -3542.114228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3542.114228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.099883 (E_RNA) where: Base-Base interactions energy: -69.984 where: short stacking energy: -24.425 Base-Backbone interact. energy: -0.061 local terms energy: -33.054498 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: -3439.014 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -2534.365926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.365926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.981600 (E_RNA) where: Base-Base interactions energy: -72.514 where: short stacking energy: -20.939 Base-Backbone interact. energy: -0.002 local terms energy: -26.466075 where: bonds (distance) C4'-P energy: -3.721 bonds (distance) P-C4' energy: -4.901 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: -2435.384 (S_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: 9 Temperature: 1.000000 Total energy: -1993.971147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.971147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.123233 (E_RNA) where: Base-Base interactions energy: -52.964 where: short stacking energy: -18.152 Base-Backbone interact. energy: -0.010 local terms energy: -30.149970 where: bonds (distance) C4'-P energy: -3.948 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: -1910.848 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1616.373997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.373997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.510925 (E_RNA) where: Base-Base interactions energy: -57.049 where: short stacking energy: -27.481 Base-Backbone interact. energy: -0.010 local terms energy: -33.452298 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: -1525.863 (S_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: 9 Temperature: 1.100000 Total energy: -1595.755611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.755611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.193187 (E_RNA) where: Base-Base interactions energy: -66.165 where: short stacking energy: -31.153 Base-Backbone interact. energy: -0.000 local terms energy: -33.028154 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -1.384 tors. eta vs tors. theta energy: -8.492 Dist. restrs. and SS energy: -1496.562 (S_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: 9 Temperature: 1.150000 Total energy: -1645.249106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.249106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.729178 (E_RNA) where: Base-Base interactions energy: -63.182 where: short stacking energy: -27.706 Base-Backbone interact. energy: -0.913 local terms energy: -23.634286 where: bonds (distance) C4'-P energy: -2.964 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: -1557.520 (S_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: 9 Temperature: 1.200000 Total energy: -1209.579028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.579028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.560259 (E_RNA) where: Base-Base interactions energy: -52.723 where: short stacking energy: -17.247 Base-Backbone interact. energy: -0.008 local terms energy: -27.828776 where: bonds (distance) C4'-P energy: -3.411 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: -1129.019 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1967.799079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.799079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.756867 (E_RNA) where: Base-Base interactions energy: -55.767 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.430 local terms energy: -19.559508 where: bonds (distance) C4'-P energy: -3.969 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: 1.103 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: -1892.042 (S_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: 9 Temperature: 1.300000 Total energy: -1682.577381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.577381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.073815 (E_RNA) where: Base-Base interactions energy: -62.721 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.379 local terms energy: -27.973952 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: -1591.504 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1616.100172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.100172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.145929 (E_RNA) where: Base-Base interactions energy: -60.945 where: short stacking energy: -22.610 Base-Backbone interact. energy: -0.005 local terms energy: -30.195782 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: -1524.954 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -4055.415486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4055.415486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.557735 (E_RNA) where: Base-Base interactions energy: -69.915 where: short stacking energy: -23.319 Base-Backbone interact. energy: -0.119 local terms energy: -28.523110 where: bonds (distance) C4'-P energy: -6.262 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: 0.199 tors. eta vs tors. theta energy: -7.295 Dist. restrs. and SS energy: -3956.858 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2636.741184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.741184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.222799 (E_RNA) where: Base-Base interactions energy: -71.712 where: short stacking energy: -26.202 Base-Backbone interact. energy: -0.058 local terms energy: -31.452324 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: -2533.518 (S_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: 10 Temperature: 1.000000 Total energy: -2195.537781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.537781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.519745 (E_RNA) where: Base-Base interactions energy: -43.017 where: short stacking energy: -18.219 Base-Backbone interact. energy: -0.016 local terms energy: -25.486121 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -1.008 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: -2127.018 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1749.967968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.967968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.929100 (E_RNA) where: Base-Base interactions energy: -66.604 where: short stacking energy: -25.445 Base-Backbone interact. energy: -0.001 local terms energy: -36.324117 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -6.410 Dist. restrs. and SS energy: -1647.039 (S_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: 10 Temperature: 1.100000 Total energy: -1746.537346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.537346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.099607 (E_RNA) where: Base-Base interactions energy: -70.895 where: short stacking energy: -25.094 Base-Backbone interact. energy: -0.003 local terms energy: -17.201423 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -3.498 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: -1658.438 (S_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: 10 Temperature: 1.150000 Total energy: -1730.808820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.808820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.753308 (E_RNA) where: Base-Base interactions energy: -62.849 where: short stacking energy: -28.046 Base-Backbone interact. energy: -2.519 local terms energy: -28.384921 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -3.698 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -9.703 Dist. restrs. and SS energy: -1637.056 (S_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: 10 Temperature: 1.200000 Total energy: -2134.919312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.919312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.097996 (E_RNA) where: Base-Base interactions energy: -49.063 where: short stacking energy: -20.520 Base-Backbone interact. energy: -0.925 local terms energy: -24.109448 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: -2060.821 (S_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: 10 Temperature: 1.250000 Total energy: -1391.265753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.265753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.407839 (E_RNA) where: Base-Base interactions energy: -54.894 where: short stacking energy: -30.740 Base-Backbone interact. energy: -0.001 local terms energy: -33.513694 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -8.872 Dist. restrs. and SS energy: -1302.858 (S_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: 10 Temperature: 1.300000 Total energy: -1820.805512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.805512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.302112 (E_RNA) where: Base-Base interactions energy: -49.146 where: short stacking energy: -24.046 Base-Backbone interact. energy: -0.061 local terms energy: -33.095325 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -6.857 Dist. restrs. and SS energy: -1738.503 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1763.935121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.935121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.207532 (E_RNA) where: Base-Base interactions energy: -63.549 where: short stacking energy: -30.783 Base-Backbone interact. energy: -0.000 local terms energy: -31.658585 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -1.778 tors. eta vs tors. theta energy: -8.390 Dist. restrs. and SS energy: -1668.728 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -4510.139282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4510.139282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.041135 (E_RNA) where: Base-Base interactions energy: -70.546 where: short stacking energy: -26.143 Base-Backbone interact. energy: -0.007 local terms energy: -26.488220 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -1.061 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: -4413.098 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2742.679142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.679142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.930558 (E_RNA) where: Base-Base interactions energy: -70.194 where: short stacking energy: -26.565 Base-Backbone interact. energy: -0.002 local terms energy: -33.735157 where: bonds (distance) C4'-P energy: -6.115 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: -2638.749 (S_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: 11 Temperature: 1.000000 Total energy: -2308.454938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.454938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.876712 (E_RNA) where: Base-Base interactions energy: -60.694 where: short stacking energy: -19.450 Base-Backbone interact. energy: -0.006 local terms energy: -28.177526 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: -2219.578 (S_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: 11 Temperature: 1.050000 Total energy: -1846.884564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.884564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.112286 (E_RNA) where: Base-Base interactions energy: -64.356 where: short stacking energy: -32.200 Base-Backbone interact. energy: -0.268 local terms energy: -32.488558 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: -1749.772 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1858.961633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.961633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.016623 (E_RNA) where: Base-Base interactions energy: -69.237 where: short stacking energy: -34.163 Base-Backbone interact. energy: -0.000 local terms energy: -29.779435 where: bonds (distance) C4'-P energy: -2.641 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -1.946 tors. eta vs tors. theta energy: -8.182 Dist. restrs. and SS energy: -1759.945 (S_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: -2272.656251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.656251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.444035 (E_RNA) where: Base-Base interactions energy: -47.145 where: short stacking energy: -18.467 Base-Backbone interact. energy: -1.099 local terms energy: -29.200374 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: -2195.212 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1868.087377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.087377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.914105 (E_RNA) where: Base-Base interactions energy: -59.384 where: short stacking energy: -22.531 Base-Backbone interact. energy: -0.706 local terms energy: -32.824288 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: -1775.173 (S_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: 11 Temperature: 1.250000 Total energy: -2029.281602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.281602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.873784 (E_RNA) where: Base-Base interactions energy: -49.193 where: short stacking energy: -16.440 Base-Backbone interact. energy: -0.026 local terms energy: -25.654898 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -6.278 Dist. restrs. and SS energy: -1954.408 (S_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: 11 Temperature: 1.300000 Total energy: -1558.152982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.152982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.681894 (E_RNA) where: Base-Base interactions energy: -58.758 where: short stacking energy: -33.600 Base-Backbone interact. energy: -0.000 local terms energy: -33.923904 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -9.196 Dist. restrs. and SS energy: -1465.471 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1920.304828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.304828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.675662 (E_RNA) where: Base-Base interactions energy: -61.947 where: short stacking energy: -31.559 Base-Backbone interact. energy: -0.006 local terms energy: -29.722788 where: bonds (distance) C4'-P energy: -4.099 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: -1828.629 (S_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: 12 Temperature: 0.900000 Total energy: -4930.565146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4930.565146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.113697 (E_RNA) where: Base-Base interactions energy: -60.272 where: short stacking energy: -25.485 Base-Backbone interact. energy: -0.551 local terms energy: -28.290852 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -1.646 tors. eta vs tors. theta energy: -4.628 Dist. restrs. and SS energy: -4841.451 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2852.266112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.266112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.979924 (E_RNA) where: Base-Base interactions energy: -73.229 where: short stacking energy: -37.198 Base-Backbone interact. energy: -0.000 local terms energy: -31.750456 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -6.247 Dist. restrs. and SS energy: -2747.286 (S_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: 12 Temperature: 1.000000 Total energy: -2370.444646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.444646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.015867 (E_RNA) where: Base-Base interactions energy: -64.960 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.011 local terms energy: -20.044928 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -0.030 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: -2285.429 (S_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: 12 Temperature: 1.050000 Total energy: -1961.403603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.403603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.332481 (E_RNA) where: Base-Base interactions energy: -61.342 where: short stacking energy: -26.987 Base-Backbone interact. energy: -0.125 local terms energy: -29.865750 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: -1870.071 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2418.941583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.941583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.728674 (E_RNA) where: Base-Base interactions energy: -62.127 where: short stacking energy: -23.534 Base-Backbone interact. energy: -0.009 local terms energy: -21.592319 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -1.171 Dist. restrs. and SS energy: -2335.213 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1986.974586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.974586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.993005 (E_RNA) where: Base-Base interactions energy: -66.857 where: short stacking energy: -31.367 Base-Backbone interact. energy: -0.001 local terms energy: -33.135231 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: -1886.982 (S_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: 12 Temperature: 1.200000 Total energy: -2195.254055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.254055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.780920 (E_RNA) where: Base-Base interactions energy: -59.976 where: short stacking energy: -24.474 Base-Backbone interact. energy: -0.909 local terms energy: -33.896371 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: -2100.473 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -2005.862799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.862799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.190561 (E_RNA) where: Base-Base interactions energy: -68.780 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.000 local terms energy: -32.409907 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: -1904.672 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -2083.564638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.564638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.309146 (E_RNA) where: Base-Base interactions energy: -65.593 where: short stacking energy: -28.401 Base-Backbone interact. energy: -0.001 local terms energy: -25.715158 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -1.819 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -0.502 tors. eta vs tors. theta energy: -8.382 Dist. restrs. and SS energy: -1992.255 (S_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: 12 Temperature: 1.350000 Total energy: -1717.794455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.794455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.033095 (E_RNA) where: Base-Base interactions energy: -59.218 where: short stacking energy: -33.359 Base-Backbone interact. energy: -0.003 local terms energy: -29.812003 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: -1628.761 (S_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: 13 Temperature: 0.900000 Total energy: -5027.555780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5027.555780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.740477 (E_RNA) where: Base-Base interactions energy: -80.168 where: short stacking energy: -25.727 Base-Backbone interact. energy: 1.410 local terms energy: -25.983015 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: -4922.815 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2960.289343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.289343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.705197 (E_RNA) where: Base-Base interactions energy: -66.025 where: short stacking energy: -33.755 Base-Backbone interact. energy: -0.008 local terms energy: -33.672095 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -8.233 Dist. restrs. and SS energy: -2860.584 (S_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: 13 Temperature: 1.000000 Total energy: -2500.700996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.700996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.645554 (E_RNA) where: Base-Base interactions energy: -51.218 where: short stacking energy: -19.803 Base-Backbone interact. energy: -0.036 local terms energy: -22.390882 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -5.178 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: -2427.055 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2528.638651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.638651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.581628 (E_RNA) where: Base-Base interactions energy: -59.525 where: short stacking energy: -21.320 Base-Backbone interact. energy: -0.672 local terms energy: -24.385281 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -0.001 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: -2444.057 (S_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: 13 Temperature: 1.100000 Total energy: -2106.942265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.942265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.196641 (E_RNA) where: Base-Base interactions energy: -63.131 where: short stacking energy: -25.389 Base-Backbone interact. energy: -0.003 local terms energy: -32.062844 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: -2011.746 (S_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: 13 Temperature: 1.150000 Total energy: -2299.753819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.753819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.666735 (E_RNA) where: Base-Base interactions energy: -60.345 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.002 local terms energy: -31.320530 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: -2208.087 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -2115.060572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.060572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.875932 (E_RNA) where: Base-Base interactions energy: -55.222 where: short stacking energy: -26.558 Base-Backbone interact. energy: -0.076 local terms energy: -27.577566 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -3.741 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: -2032.185 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -2220.672043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.672043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.568859 (E_RNA) where: Base-Base interactions energy: -64.517 where: short stacking energy: -26.059 Base-Backbone interact. energy: -0.953 local terms energy: -19.099122 where: bonds (distance) C4'-P energy: -0.268 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: 0.602 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: -2136.103 (S_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: 13 Temperature: 1.300000 Total energy: -2182.871053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.871053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.384641 (E_RNA) where: Base-Base interactions energy: -48.826 where: short stacking energy: -17.753 Base-Backbone interact. energy: -0.610 local terms energy: -22.948890 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: -2110.486 (S_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: 13 Temperature: 1.350000 Total energy: -1971.434019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.434019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.198274 (E_RNA) where: Base-Base interactions energy: -59.300 where: short stacking energy: -20.404 Base-Backbone interact. energy: -0.001 local terms energy: -19.897578 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -3.806 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -3.787 Dist. restrs. and SS energy: -1892.236 (S_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: 14 Temperature: 0.900000 Total energy: -5121.903430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5121.903430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.920321 (E_RNA) where: Base-Base interactions energy: -76.326 where: short stacking energy: -23.215 Base-Backbone interact. energy: -0.004 local terms energy: -28.590263 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: 1.099 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: -5016.983 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -3090.366127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.366127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.906266 (E_RNA) where: Base-Base interactions energy: -69.472 where: short stacking energy: -32.106 Base-Backbone interact. energy: -0.001 local terms energy: -31.433739 where: bonds (distance) C4'-P energy: -4.828 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -8.709 Dist. restrs. and SS energy: -2989.460 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2667.533813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.533813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.278422 (E_RNA) where: Base-Base interactions energy: -57.473 where: short stacking energy: -23.682 Base-Backbone interact. energy: -0.892 local terms energy: -33.913759 where: bonds (distance) C4'-P energy: -8.321 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: -2575.255 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2649.771148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.771148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.857807 (E_RNA) where: Base-Base interactions energy: -60.863 where: short stacking energy: -17.299 Base-Backbone interact. energy: -0.040 local terms energy: -18.954953 where: bonds (distance) C4'-P energy: -4.710 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: -2569.913 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -2431.890191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.890191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.340840 (E_RNA) where: Base-Base interactions energy: -58.883 where: short stacking energy: -30.076 Base-Backbone interact. energy: -0.042 local terms energy: -34.415828 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: -2338.549 (S_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: 14 Temperature: 1.150000 Total energy: -2230.834438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.834438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.226212 (E_RNA) where: Base-Base interactions energy: -66.492 where: short stacking energy: -35.837 Base-Backbone interact. energy: -0.003 local terms energy: -31.731333 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: -2132.608 (S_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: 14 Temperature: 1.200000 Total energy: -2391.314096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.314096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.211105 (E_RNA) where: Base-Base interactions energy: -56.875 where: short stacking energy: -22.664 Base-Backbone interact. energy: -0.000 local terms energy: -34.336218 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: -2300.103 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -2399.950672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.950672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.869310 (E_RNA) where: Base-Base interactions energy: -58.461 where: short stacking energy: -25.327 Base-Backbone interact. energy: -0.105 local terms energy: -31.302777 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: -2310.081 (S_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: 14 Temperature: 1.300000 Total energy: -2379.632822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.632822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.492064 (E_RNA) where: Base-Base interactions energy: -60.538 where: short stacking energy: -34.338 Base-Backbone interact. energy: -0.001 local terms energy: -34.953437 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -9.599 Dist. restrs. and SS energy: -2284.141 (S_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: 14 Temperature: 1.350000 Total energy: -2130.679137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.679137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.668577 (E_RNA) where: Base-Base interactions energy: -56.188 where: short stacking energy: -26.347 Base-Backbone interact. energy: -0.851 local terms energy: -29.629728 where: bonds (distance) C4'-P energy: -3.875 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -6.331 Dist. restrs. and SS energy: -2044.011 (S_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: 15 Temperature: 0.900000 Total energy: -5227.138996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5227.138996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.544455 (E_RNA) where: Base-Base interactions energy: -68.592 where: short stacking energy: -22.257 Base-Backbone interact. energy: -0.001 local terms energy: -23.951140 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -0.473 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: -5134.595 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -3200.459998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.459998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.479982 (E_RNA) where: Base-Base interactions energy: -71.112 where: short stacking energy: -33.121 Base-Backbone interact. energy: -0.001 local terms energy: -34.366202 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -8.625 Dist. restrs. and SS energy: -3094.980 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2761.406758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.406758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.527991 (E_RNA) where: Base-Base interactions energy: -48.697 where: short stacking energy: -28.974 Base-Backbone interact. energy: -0.000 local terms energy: -35.830273 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: -2676.879 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2770.833751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.833751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.312280 (E_RNA) where: Base-Base interactions energy: -55.321 where: short stacking energy: -21.445 Base-Backbone interact. energy: -0.654 local terms energy: -27.337491 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: -2687.521 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -2542.600923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.600923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.277615 (E_RNA) where: Base-Base interactions energy: -64.457 where: short stacking energy: -28.162 Base-Backbone interact. energy: -0.018 local terms energy: -31.803262 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: -2446.323 (S_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: 15 Temperature: 1.150000 Total energy: -2517.395741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.395741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.859627 (E_RNA) where: Base-Base interactions energy: -62.319 where: short stacking energy: -25.013 Base-Backbone interact. energy: -0.008 local terms energy: -35.532655 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: -2419.536 (S_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: 15 Temperature: 1.200000 Total energy: -2352.978226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.978226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.870363 (E_RNA) where: Base-Base interactions energy: -59.989 where: short stacking energy: -32.417 Base-Backbone interact. energy: -1.295 local terms energy: -22.586611 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -5.811 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -1.644 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: -2269.108 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -2511.245465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.245465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.724417 (E_RNA) where: Base-Base interactions energy: -63.909 where: short stacking energy: -32.112 Base-Backbone interact. energy: -0.002 local terms energy: -32.813649 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -5.278 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: -2414.521 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -2552.727995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.727995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.049413 (E_RNA) where: Base-Base interactions energy: -62.897 where: short stacking energy: -26.616 Base-Backbone interact. energy: -0.000 local terms energy: -32.152350 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: -2457.679 (S_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: 15 Temperature: 1.350000 Total energy: -2304.643259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.643259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.899826 (E_RNA) where: Base-Base interactions energy: -56.464 where: short stacking energy: -29.935 Base-Backbone interact. energy: -0.000 local terms energy: -29.436181 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -1.212 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: -2218.743 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -5324.060512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5324.060512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.037659 (E_RNA) where: Base-Base interactions energy: -59.449 where: short stacking energy: -26.334 Base-Backbone interact. energy: -0.141 local terms energy: -29.447820 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -3.194 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -8.113 Dist. restrs. and SS energy: -5235.023 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -3314.964152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.964152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.928461 (E_RNA) where: Base-Base interactions energy: -65.429 where: short stacking energy: -34.279 Base-Backbone interact. energy: -0.911 local terms energy: -31.588449 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -6.908 Dist. restrs. and SS energy: -3217.036 (S_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: 16 Temperature: 1.000000 Total energy: -2880.551906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.551906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.175949 (E_RNA) where: Base-Base interactions energy: -70.628 where: short stacking energy: -27.298 Base-Backbone interact. energy: -0.023 local terms energy: -24.524340 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: -2785.376 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2892.792687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.792687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.215061 (E_RNA) where: Base-Base interactions energy: -61.377 where: short stacking energy: -24.019 Base-Backbone interact. energy: -0.003 local terms energy: -27.835712 where: bonds (distance) C4'-P energy: -2.823 bonds (distance) P-C4' energy: -6.025 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -7.468 Dist. restrs. and SS energy: -2803.578 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2693.017709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.017709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.654025 (E_RNA) where: Base-Base interactions energy: -53.784 where: short stacking energy: -15.386 Base-Backbone interact. energy: -0.033 local terms energy: -23.836457 where: bonds (distance) C4'-P energy: -3.602 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: -2615.364 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -2648.751749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.751749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.421160 (E_RNA) where: Base-Base interactions energy: -60.160 where: short stacking energy: -28.548 Base-Backbone interact. energy: -0.002 local terms energy: -29.259196 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: -2559.331 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -2658.925139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.925139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.203652 (E_RNA) where: Base-Base interactions energy: -56.791 where: short stacking energy: -27.659 Base-Backbone interact. energy: -0.041 local terms energy: -30.371824 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: -2571.721 (S_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: 16 Temperature: 1.250000 Total energy: -2496.407048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.407048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.569823 (E_RNA) where: Base-Base interactions energy: -60.724 where: short stacking energy: -27.919 Base-Backbone interact. energy: -0.051 local terms energy: -28.794351 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -1.668 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: -2406.837 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -2721.820926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.820926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.388631 (E_RNA) where: Base-Base interactions energy: -61.225 where: short stacking energy: -32.543 Base-Backbone interact. energy: 0.004 local terms energy: -29.167356 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: -2631.432 (S_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: 16 Temperature: 1.350000 Total energy: -2429.298747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.298747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.627884 (E_RNA) where: Base-Base interactions energy: -43.778 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.034 local terms energy: -16.815696 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -4.834 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -2.496 tors. eta vs tors. theta energy: 0.819 Dist. restrs. and SS energy: -2368.671 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -5511.774004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5511.774004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.217253 (E_RNA) where: Base-Base interactions energy: -62.315 where: short stacking energy: -20.824 Base-Backbone interact. energy: -0.105 local terms energy: -28.797647 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -5.845 Dist. restrs. and SS energy: -5420.557 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -3423.315391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3423.315391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.400684 (E_RNA) where: Base-Base interactions energy: -66.833 where: short stacking energy: -30.901 Base-Backbone interact. energy: -0.000 local terms energy: -34.567573 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: -3321.915 (S_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: 17 Temperature: 1.000000 Total energy: -2993.256561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.256561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.120316 (E_RNA) where: Base-Base interactions energy: -68.639 where: short stacking energy: -25.562 Base-Backbone interact. energy: -0.768 local terms energy: -25.713397 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -0.554 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: -2898.136 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -3035.616864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.616864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.832432 (E_RNA) where: Base-Base interactions energy: -57.777 where: short stacking energy: -25.136 Base-Backbone interact. energy: -0.000 local terms energy: -28.054747 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -2.486 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: -2949.784 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -2821.458456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.458456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.795920 (E_RNA) where: Base-Base interactions energy: -70.911 where: short stacking energy: -32.766 Base-Backbone interact. energy: -0.002 local terms energy: -29.882831 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -7.588 Dist. restrs. and SS energy: -2720.663 (S_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: 17 Temperature: 1.150000 Total energy: -2958.946115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.946115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.418333 (E_RNA) where: Base-Base interactions energy: -51.104 where: short stacking energy: -20.846 Base-Backbone interact. energy: 1.970 local terms energy: -28.283809 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: -2881.528 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -2798.153915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.153915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.665907 (E_RNA) where: Base-Base interactions energy: -62.729 where: short stacking energy: -27.895 Base-Backbone interact. energy: -0.015 local terms energy: -25.921927 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -6.426 Dist. restrs. and SS energy: -2709.488 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -2875.923693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.923693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.116487 (E_RNA) where: Base-Base interactions energy: -65.802 where: short stacking energy: -25.540 Base-Backbone interact. energy: 0.744 local terms energy: -27.058004 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -2.191 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: -2783.807 (S_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: 17 Temperature: 1.300000 Total energy: -2686.698257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.698257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.515758 (E_RNA) where: Base-Base interactions energy: -64.570 where: short stacking energy: -31.797 Base-Backbone interact. energy: -1.055 local terms energy: -28.890819 where: bonds (distance) C4'-P energy: -0.335 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -8.658 Dist. restrs. and SS energy: -2592.182 (S_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: 17 Temperature: 1.350000 Total energy: -2665.180839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.180839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.030017 (E_RNA) where: Base-Base interactions energy: -65.479 where: short stacking energy: -34.202 Base-Backbone interact. energy: -0.001 local terms energy: -25.550013 where: bonds (distance) C4'-P energy: -0.165 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -0.725 tors. eta vs tors. theta energy: -9.611 Dist. restrs. and SS energy: -2574.151 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -5868.353653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5868.353653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.242440 (E_RNA) where: Base-Base interactions energy: -62.888 where: short stacking energy: -25.476 Base-Backbone interact. energy: -0.053 local terms energy: -30.301250 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -2.029 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: -5775.111 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -3516.030135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3516.030135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.382833 (E_RNA) where: Base-Base interactions energy: -61.994 where: short stacking energy: -26.710 Base-Backbone interact. energy: -0.680 local terms energy: -31.708718 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -0.089 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: -3421.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -3157.484589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.484589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.463028 (E_RNA) where: Base-Base interactions energy: -61.894 where: short stacking energy: -33.069 Base-Backbone interact. energy: -0.005 local terms energy: -22.563549 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: 0.218 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: -3073.022 (S_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: 18 Temperature: 1.050000 Total energy: -3110.312275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.312275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.605868 (E_RNA) where: Base-Base interactions energy: -63.578 where: short stacking energy: -34.758 Base-Backbone interact. energy: -0.717 local terms energy: -28.310756 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: -3017.706 (S_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: 18 Temperature: 1.100000 Total energy: -3183.575830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.575830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.750227 (E_RNA) where: Base-Base interactions energy: -53.803 where: short stacking energy: -23.375 Base-Backbone interact. energy: -0.010 local terms energy: -24.937636 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -3.507 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: -3104.826 (S_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: 18 Temperature: 1.150000 Total energy: -2941.094521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.094521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.186363 (E_RNA) where: Base-Base interactions energy: -62.485 where: short stacking energy: -26.834 Base-Backbone interact. energy: -0.360 local terms energy: -29.341411 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: -2848.908 (S_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: 18 Temperature: 1.200000 Total energy: -3012.518810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.518810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.825236 (E_RNA) where: Base-Base interactions energy: -67.530 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.078 local terms energy: -29.217303 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: -2915.694 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -2932.134530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.134530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.374731 (E_RNA) where: Base-Base interactions energy: -65.670 where: short stacking energy: -29.292 Base-Backbone interact. energy: -0.044 local terms energy: -22.660887 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: 1.531 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: -2843.760 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -2849.353883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.353883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.507049 (E_RNA) where: Base-Base interactions energy: -63.841 where: short stacking energy: -31.335 Base-Backbone interact. energy: -0.001 local terms energy: -33.665528 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -7.534 Dist. restrs. and SS energy: -2751.847 (S_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: 18 Temperature: 1.350000 Total energy: -2847.941989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.941989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.150008 (E_RNA) where: Base-Base interactions energy: -54.220 where: short stacking energy: -21.588 Base-Backbone interact. energy: -0.218 local terms energy: -33.712048 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -7.553 Dist. restrs. and SS energy: -2759.792 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -6155.957639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6155.957639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.741599 (E_RNA) where: Base-Base interactions energy: -70.489 where: short stacking energy: -25.611 Base-Backbone interact. energy: -0.087 local terms energy: -31.165575 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: -6054.216 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -3604.411223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.411223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.487938 (E_RNA) where: Base-Base interactions energy: -64.377 where: short stacking energy: -29.751 Base-Backbone interact. energy: -0.140 local terms energy: -31.970882 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -7.941 Dist. restrs. and SS energy: -3507.923 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -3324.123824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.123824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.035924 (E_RNA) where: Base-Base interactions energy: -52.417 where: short stacking energy: -25.657 Base-Backbone interact. energy: -0.000 local terms energy: -26.618669 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -0.862 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: -3245.088 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -3343.418320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.418320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.492091 (E_RNA) where: Base-Base interactions energy: -68.897 where: short stacking energy: -37.793 Base-Backbone interact. energy: -0.000 local terms energy: -31.594501 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: -3242.926 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -3241.052484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.052484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.378118 (E_RNA) where: Base-Base interactions energy: -58.423 where: short stacking energy: -16.762 Base-Backbone interact. energy: -0.020 local terms energy: -22.934819 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: -3159.674 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -3148.827185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.827185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.018282 (E_RNA) where: Base-Base interactions energy: -62.249 where: short stacking energy: -24.677 Base-Backbone interact. energy: -0.044 local terms energy: -26.725089 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -2.931 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: -3059.809 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -3073.445500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.374177 (E_RNA) where: Base-Base interactions energy: -64.161 where: short stacking energy: -31.917 Base-Backbone interact. energy: -0.005 local terms energy: -32.208734 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -7.222 Dist. restrs. and SS energy: -2977.071 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -3093.608088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.608088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.791135 (E_RNA) where: Base-Base interactions energy: -59.586 where: short stacking energy: -28.284 Base-Backbone interact. energy: -0.109 local terms energy: -34.096361 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: -2999.817 (S_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: 19 Temperature: 1.300000 Total energy: -3032.849297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.849297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.244183 (E_RNA) where: Base-Base interactions energy: -60.175 where: short stacking energy: -22.236 Base-Backbone interact. energy: -0.000 local terms energy: -26.068846 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: -2946.605 (S_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: 19 Temperature: 1.350000 Total energy: -3048.696459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.696459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.401460 (E_RNA) where: Base-Base interactions energy: -56.922 where: short stacking energy: -21.209 Base-Backbone interact. energy: -0.341 local terms energy: -20.138937 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: 2.046 Dist. restrs. and SS energy: -2971.295 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -6503.202531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6503.202531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.317896 (E_RNA) where: Base-Base interactions energy: -76.514 where: short stacking energy: -27.295 Base-Backbone interact. energy: -0.094 local terms energy: -31.710138 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -8.554 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: -6394.885 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -3711.929024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3711.929024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.517520 (E_RNA) where: Base-Base interactions energy: -67.126 where: short stacking energy: -33.813 Base-Backbone interact. energy: -0.000 local terms energy: -35.391705 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: -3609.412 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -3468.930963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.930963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.725285 (E_RNA) where: Base-Base interactions energy: -68.601 where: short stacking energy: -37.089 Base-Backbone interact. energy: -0.001 local terms energy: -32.123334 where: bonds (distance) C4'-P energy: -3.978 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -8.877 Dist. restrs. and SS energy: -3368.206 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -3454.781729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.781729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.756866 (E_RNA) where: Base-Base interactions energy: -65.503 where: short stacking energy: -24.213 Base-Backbone interact. energy: -0.003 local terms energy: -29.251444 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: -3360.025 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -3393.782710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3393.782710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.091769 (E_RNA) where: Base-Base interactions energy: -63.721 where: short stacking energy: -24.043 Base-Backbone interact. energy: -0.026 local terms energy: -26.344541 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: -3303.691 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -3293.166897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.166897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.749090 (E_RNA) where: Base-Base interactions energy: -59.649 where: short stacking energy: -23.471 Base-Backbone interact. energy: -0.477 local terms energy: -26.623395 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -3.378 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: -3206.418 (S_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: 20 Temperature: 1.200000 Total energy: -3227.762881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.762881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.632261 (E_RNA) where: Base-Base interactions energy: -59.322 where: short stacking energy: -27.691 Base-Backbone interact. energy: -0.044 local terms energy: -24.266278 where: bonds (distance) C4'-P energy: -0.869 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: -3144.131 (S_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: -3218.706686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.706686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.087705 (E_RNA) where: Base-Base interactions energy: -66.087 where: short stacking energy: -28.736 Base-Backbone interact. energy: -0.018 local terms energy: -25.982493 where: bonds (distance) C4'-P energy: -2.288 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -6.519 Dist. restrs. and SS energy: -3126.619 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -3333.252142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.252142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.798434 (E_RNA) where: Base-Base interactions energy: -47.529 where: short stacking energy: -22.387 Base-Backbone interact. energy: -0.108 local terms energy: -28.161669 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: -3257.454 (S_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: 20 Temperature: 1.350000 Total energy: -3192.288730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.288730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.399999 (E_RNA) where: Base-Base interactions energy: -54.566 where: short stacking energy: -18.142 Base-Backbone interact. energy: -0.002 local terms energy: -29.832108 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: -3107.889 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -6867.946771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6867.946771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.835883 (E_RNA) where: Base-Base interactions energy: -74.825 where: short stacking energy: -28.829 Base-Backbone interact. energy: -0.101 local terms energy: -31.910571 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: -6761.111 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -3814.801329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3814.801329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.720657 (E_RNA) where: Base-Base interactions energy: -62.104 where: short stacking energy: -25.520 Base-Backbone interact. energy: -0.910 local terms energy: -32.706654 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: -3719.081 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -3603.159973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3603.159973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.125231 (E_RNA) where: Base-Base interactions energy: -75.698 where: short stacking energy: -31.287 Base-Backbone interact. energy: -0.003 local terms energy: -29.423853 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -7.821 Dist. restrs. and SS energy: -3498.035 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -3530.973811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3530.973811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.986127 (E_RNA) where: Base-Base interactions energy: -62.851 where: short stacking energy: -25.625 Base-Backbone interact. energy: -0.626 local terms energy: -31.509711 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: -3435.988 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -3528.483010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3528.483010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.280638 (E_RNA) where: Base-Base interactions energy: -57.076 where: short stacking energy: -23.978 Base-Backbone interact. energy: -0.003 local terms energy: -26.201525 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: -3445.202 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -3388.711830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3388.711830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.497332 (E_RNA) where: Base-Base interactions energy: -61.052 where: short stacking energy: -18.547 Base-Backbone interact. energy: -0.003 local terms energy: -27.442307 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: -3300.214 (S_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: 21 Temperature: 1.200000 Total energy: -3391.333926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3391.333926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.951168 (E_RNA) where: Base-Base interactions energy: -60.981 where: short stacking energy: -25.811 Base-Backbone interact. energy: -0.051 local terms energy: -28.919282 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: -3301.383 (S_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: 21 Temperature: 1.250000 Total energy: -3525.902068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.902068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.273959 (E_RNA) where: Base-Base interactions energy: -58.551 where: short stacking energy: -30.812 Base-Backbone interact. energy: -0.002 local terms energy: -32.721233 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.995 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -6.587 Dist. restrs. and SS energy: -3434.628 (S_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: -3377.284073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3377.284073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.284527 (E_RNA) where: Base-Base interactions energy: -58.339 where: short stacking energy: -27.014 Base-Backbone interact. energy: -0.000 local terms energy: -24.944907 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -1.012 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: -3294.000 (S_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: 21 Temperature: 1.350000 Total energy: -3346.865506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3346.865506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.630386 (E_RNA) where: Base-Base interactions energy: -55.600 where: short stacking energy: -27.098 Base-Backbone interact. energy: -0.002 local terms energy: -29.028479 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: -3262.235 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -7216.850987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7216.850987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.400467 (E_RNA) where: Base-Base interactions energy: -70.875 where: short stacking energy: -23.230 Base-Backbone interact. energy: -0.089 local terms energy: -27.436389 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: -7118.451 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -3900.305958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3900.305958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.330364 (E_RNA) where: Base-Base interactions energy: -69.778 where: short stacking energy: -29.079 Base-Backbone interact. energy: -0.164 local terms energy: -30.387859 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: -3799.976 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -3697.470960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3697.470960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.502773 (E_RNA) where: Base-Base interactions energy: -65.611 where: short stacking energy: -26.665 Base-Backbone interact. energy: -0.015 local terms energy: -31.876439 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -1.533 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: -3599.968 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -3641.856599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3641.856599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.180875 (E_RNA) where: Base-Base interactions energy: -61.555 where: short stacking energy: -26.035 Base-Backbone interact. energy: -0.356 local terms energy: -31.269591 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: -3548.676 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -3687.069603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3687.069603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.025877 (E_RNA) where: Base-Base interactions energy: -61.027 where: short stacking energy: -30.294 Base-Backbone interact. energy: -0.266 local terms energy: -30.733613 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -5.762 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: -3595.044 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -3531.324915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3531.324915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.432012 (E_RNA) where: Base-Base interactions energy: -62.563 where: short stacking energy: -31.321 Base-Backbone interact. energy: -0.000 local terms energy: -35.868960 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: -3432.893 (S_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: 22 Temperature: 1.200000 Total energy: -3639.328241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3639.328241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.601214 (E_RNA) where: Base-Base interactions energy: -52.018 where: short stacking energy: -20.047 Base-Backbone interact. energy: -0.004 local terms energy: -32.579036 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: -3554.727 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -3558.357388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.357388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.606228 (E_RNA) where: Base-Base interactions energy: -62.366 where: short stacking energy: -24.455 Base-Backbone interact. energy: -0.002 local terms energy: -26.238294 where: bonds (distance) C4'-P energy: -1.804 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: -3469.751 (S_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: 22 Temperature: 1.300000 Total energy: -3530.794094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3530.794094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.476857 (E_RNA) where: Base-Base interactions energy: -61.502 where: short stacking energy: -28.018 Base-Backbone interact. energy: -0.001 local terms energy: -30.973235 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: -3438.317 (S_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: 22 Temperature: 1.350000 Total energy: -3532.623682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3532.623682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.205536 (E_RNA) where: Base-Base interactions energy: -60.404 where: short stacking energy: -27.955 Base-Backbone interact. energy: -0.550 local terms energy: -32.251286 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: -3439.418 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -7581.597147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7581.597147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.868616 (E_RNA) where: Base-Base interactions energy: -71.398 where: short stacking energy: -24.730 Base-Backbone interact. energy: -0.002 local terms energy: -32.468164 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: -7477.729 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -3976.754963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3976.754963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.033231 (E_RNA) where: Base-Base interactions energy: -68.627 where: short stacking energy: -32.413 Base-Backbone interact. energy: -0.873 local terms energy: -28.533087 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -0.546 tors. eta vs tors. theta energy: -6.583 Dist. restrs. and SS energy: -3878.722 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -3796.064237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3796.064237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.762693 (E_RNA) where: Base-Base interactions energy: -66.588 where: short stacking energy: -24.554 Base-Backbone interact. energy: -0.002 local terms energy: -28.172243 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: -3701.302 (S_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: 23 Temperature: 1.050000 Total energy: -3798.072213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3798.072213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.303262 (E_RNA) where: Base-Base interactions energy: -67.500 where: short stacking energy: -34.875 Base-Backbone interact. energy: -0.001 local terms energy: -30.802541 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -7.255 Dist. restrs. and SS energy: -3699.769 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -3744.538649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3744.538649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.827878 (E_RNA) where: Base-Base interactions energy: -66.665 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.393 local terms energy: -27.769996 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: -3649.711 (S_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: 23 Temperature: 1.150000 Total energy: -3785.511021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3785.511021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.227287 (E_RNA) where: Base-Base interactions energy: -63.234 where: short stacking energy: -19.903 Base-Backbone interact. energy: 0.031 local terms energy: -35.024576 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: -3687.284 (S_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: 23 Temperature: 1.200000 Total energy: -3651.300974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.300974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.217474 (E_RNA) where: Base-Base interactions energy: -56.169 where: short stacking energy: -25.655 Base-Backbone interact. energy: -1.097 local terms energy: -25.951538 where: bonds (distance) C4'-P energy: -3.577 bonds (distance) P-C4' energy: -3.903 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: -3568.084 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -3728.028553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3728.028553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.890056 (E_RNA) where: Base-Base interactions energy: -72.783 where: short stacking energy: -25.766 Base-Backbone interact. energy: -0.170 local terms energy: -26.937596 where: bonds (distance) C4'-P energy: -3.176 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: -3628.138 (S_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: 23 Temperature: 1.300000 Total energy: -3705.120917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3705.120917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.173709 (E_RNA) where: Base-Base interactions energy: -56.513 where: short stacking energy: -27.643 Base-Backbone interact. energy: -0.085 local terms energy: -30.575134 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: -3617.947 (S_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: 23 Temperature: 1.350000 Total energy: -3720.704986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3720.704986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.982470 (E_RNA) where: Base-Base interactions energy: -53.233 where: short stacking energy: -22.040 Base-Backbone interact. energy: -0.114 local terms energy: -20.635551 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.077 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -2.265 Dist. restrs. and SS energy: -3646.723 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -7974.824313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7974.824313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.088219 (E_RNA) where: Base-Base interactions energy: -62.149 where: short stacking energy: -23.461 Base-Backbone interact. energy: -0.077 local terms energy: -33.861927 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -6.151 Dist. restrs. and SS energy: -7878.736 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -4082.199893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4082.199893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.493021 (E_RNA) where: Base-Base interactions energy: -69.949 where: short stacking energy: -32.130 Base-Backbone interact. energy: -0.001 local terms energy: -30.542626 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: -3981.707 (S_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: 24 Temperature: 1.000000 Total energy: -3898.174910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.174910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.762871 (E_RNA) where: Base-Base interactions energy: -65.804 where: short stacking energy: -28.659 Base-Backbone interact. energy: -0.003 local terms energy: -30.955972 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -1.476 tors. eta vs tors. theta energy: -5.968 Dist. restrs. and SS energy: -3801.412 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -3915.855199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3915.855199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.898837 (E_RNA) where: Base-Base interactions energy: -64.809 where: short stacking energy: -27.197 Base-Backbone interact. energy: -0.001 local terms energy: -29.089360 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -1.171 tors. eta vs tors. theta energy: -6.167 Dist. restrs. and SS energy: -3821.956 (S_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: 24 Temperature: 1.100000 Total energy: -3892.597063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3892.597063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.078175 (E_RNA) where: Base-Base interactions energy: -72.396 where: short stacking energy: -24.420 Base-Backbone interact. energy: -0.038 local terms energy: -26.643927 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -0.677 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: -3793.519 (S_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: 24 Temperature: 1.150000 Total energy: -3856.965448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3856.965448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.464229 (E_RNA) where: Base-Base interactions energy: -68.584 where: short stacking energy: -26.812 Base-Backbone interact. energy: -0.029 local terms energy: -28.851413 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: -3759.501 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -3885.009970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.009970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.965124 (E_RNA) where: Base-Base interactions energy: -65.677 where: short stacking energy: -25.822 Base-Backbone interact. energy: -0.342 local terms energy: -30.946812 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: -3788.045 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -3808.804936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3808.804936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.319441 (E_RNA) where: Base-Base interactions energy: -55.514 where: short stacking energy: -21.954 Base-Backbone interact. energy: -0.489 local terms energy: -32.316499 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.206 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: -3720.485 (S_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: 24 Temperature: 1.300000 Total energy: -3905.785344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3905.785344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.912591 (E_RNA) where: Base-Base interactions energy: -56.194 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.542 local terms energy: -30.176343 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -6.144 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: -3818.873 (S_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: -3857.068187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3857.068187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.584954 (E_RNA) where: Base-Base interactions energy: -58.476 where: short stacking energy: -25.239 Base-Backbone interact. energy: -0.001 local terms energy: -21.108448 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: 0.709 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: -3777.483 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -8395.913460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8395.913460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.784153 (E_RNA) where: Base-Base interactions energy: -66.412 where: short stacking energy: -26.669 Base-Backbone interact. energy: -0.050 local terms energy: -23.321797 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: -8306.129 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -4194.128204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4194.128204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.851376 (E_RNA) where: Base-Base interactions energy: -65.511 where: short stacking energy: -32.940 Base-Backbone interact. energy: -0.450 local terms energy: -36.890680 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.979 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -9.001 Dist. restrs. and SS energy: -4091.277 (S_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: 25 Temperature: 1.000000 Total energy: -4012.644511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4012.644511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.647389 (E_RNA) where: Base-Base interactions energy: -68.022 where: short stacking energy: -28.379 Base-Backbone interact. energy: -0.002 local terms energy: -36.623408 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -8.568 Dist. restrs. and SS energy: -3907.997 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -4004.096124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4004.096124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.094249 (E_RNA) where: Base-Base interactions energy: -66.360 where: short stacking energy: -30.228 Base-Backbone interact. energy: -0.001 local terms energy: -33.732794 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -8.380 Dist. restrs. and SS energy: -3904.002 (S_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: 25 Temperature: 1.100000 Total energy: -4034.257523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4034.257523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.496778 (E_RNA) where: Base-Base interactions energy: -69.402 where: short stacking energy: -34.190 Base-Backbone interact. energy: -0.000 local terms energy: -34.095064 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -7.814 Dist. restrs. and SS energy: -3930.761 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -4004.580616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4004.580616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.166196 (E_RNA) where: Base-Base interactions energy: -66.421 where: short stacking energy: -30.036 Base-Backbone interact. energy: -0.554 local terms energy: -28.191317 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -3.328 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: -3909.414 (S_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: 25 Temperature: 1.200000 Total energy: -3979.926363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3979.926363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.301451 (E_RNA) where: Base-Base interactions energy: -63.273 where: short stacking energy: -21.892 Base-Backbone interact. energy: -0.141 local terms energy: -24.887134 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: -3891.625 (S_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: 25 Temperature: 1.250000 Total energy: -4077.236669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4077.236669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.572931 (E_RNA) where: Base-Base interactions energy: -58.299 where: short stacking energy: -26.705 Base-Backbone interact. energy: -0.004 local terms energy: -27.270219 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: -3991.664 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -3981.624731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3981.624731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.424691 (E_RNA) where: Base-Base interactions energy: -61.886 where: short stacking energy: -36.826 Base-Backbone interact. energy: -0.001 local terms energy: -31.537812 where: bonds (distance) C4'-P energy: -3.304 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -9.783 Dist. restrs. and SS energy: -3888.200 (S_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: -4036.512465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4036.512465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.755954 (E_RNA) where: Base-Base interactions energy: -58.880 where: short stacking energy: -19.785 Base-Backbone interact. energy: -0.002 local terms energy: -22.874373 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -2.729 flat angles P-C4'-P energy: -0.613 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: -3954.757 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -8765.334918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8765.334918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.986836 (E_RNA) where: Base-Base interactions energy: -63.201 where: short stacking energy: -23.631 Base-Backbone interact. energy: -0.083 local terms energy: -33.702801 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -0.530 tors. eta vs tors. theta energy: -7.551 Dist. restrs. and SS energy: -8668.348 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -4308.545614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4308.545614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.898651 (E_RNA) where: Base-Base interactions energy: -64.014 where: short stacking energy: -27.361 Base-Backbone interact. energy: 0.990 local terms energy: -34.874656 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -8.158 Dist. restrs. and SS energy: -4210.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -4131.445183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4131.445183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.801755 (E_RNA) where: Base-Base interactions energy: -67.209 where: short stacking energy: -25.250 Base-Backbone interact. energy: -0.000 local terms energy: -30.592472 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -9.133 Dist. restrs. and SS energy: -4033.643 (S_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: 26 Temperature: 1.050000 Total energy: -4124.448724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4124.448724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.418523 (E_RNA) where: Base-Base interactions energy: -60.523 where: short stacking energy: -33.052 Base-Backbone interact. energy: 0.370 local terms energy: -27.265229 where: bonds (distance) C4'-P energy: -3.254 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: -4037.030 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -4121.294575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4121.294575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.249387 (E_RNA) where: Base-Base interactions energy: -62.681 where: short stacking energy: -25.893 Base-Backbone interact. energy: 1.413 local terms energy: -29.980804 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: -4030.045 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -4150.625220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4150.625220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.235886 (E_RNA) where: Base-Base interactions energy: -61.457 where: short stacking energy: -24.066 Base-Backbone interact. energy: -0.421 local terms energy: -34.357793 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: -4054.389 (S_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: 26 Temperature: 1.200000 Total energy: -4288.036359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4288.036359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.440472 (E_RNA) where: Base-Base interactions energy: -67.252 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.037 local terms energy: -27.150866 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -1.180 tors. eta vs tors. theta energy: -7.106 Dist. restrs. and SS energy: -4193.596 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -4123.845998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4123.845998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.221485 (E_RNA) where: Base-Base interactions energy: -64.314 where: short stacking energy: -19.741 Base-Backbone interact. energy: -0.001 local terms energy: -26.907005 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -0.821 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: -4032.625 (S_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: 26 Temperature: 1.300000 Total energy: -4206.184987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4206.184987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.550796 (E_RNA) where: Base-Base interactions energy: -64.382 where: short stacking energy: -21.921 Base-Backbone interact. energy: -0.014 local terms energy: -17.154900 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -2.500 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: -4124.634 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -4147.150269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4147.150269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.548557 (E_RNA) where: Base-Base interactions energy: -66.131 where: short stacking energy: -23.325 Base-Backbone interact. energy: -0.043 local terms energy: -26.375251 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: -4054.602 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -9150.573485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9150.573485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.639851 (E_RNA) where: Base-Base interactions energy: -65.766 where: short stacking energy: -23.445 Base-Backbone interact. energy: -0.005 local terms energy: -33.868222 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: -9050.934 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -4438.880769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4438.880769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.634870 (E_RNA) where: Base-Base interactions energy: -66.982 where: short stacking energy: -33.300 Base-Backbone interact. energy: -0.000 local terms energy: -36.652848 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -9.464 Dist. restrs. and SS energy: -4335.246 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -4253.123807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4253.123807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.917563 (E_RNA) where: Base-Base interactions energy: -61.383 where: short stacking energy: -28.592 Base-Backbone interact. energy: -0.055 local terms energy: -36.479469 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: -4155.206 (S_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: 27 Temperature: 1.050000 Total energy: -4275.246342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4275.246342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.991622 (E_RNA) where: Base-Base interactions energy: -69.376 where: short stacking energy: -25.367 Base-Backbone interact. energy: -0.000 local terms energy: -33.615673 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: -4172.255 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -4288.396789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4288.396789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.013652 (E_RNA) where: Base-Base interactions energy: -62.454 where: short stacking energy: -26.971 Base-Backbone interact. energy: -0.002 local terms energy: -34.557237 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -7.783 Dist. restrs. and SS energy: -4191.383 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -4407.026454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4407.026454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.505260 (E_RNA) where: Base-Base interactions energy: -57.279 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.003 local terms energy: -25.223156 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -1.493 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: -4324.521 (S_DIST_RNA) chem. 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: -4290.768028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4290.768028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.942385 (E_RNA) where: Base-Base interactions energy: -66.431 where: short stacking energy: -23.126 Base-Backbone interact. energy: -0.001 local terms energy: -27.510271 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: -4196.826 (S_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: 27 Temperature: 1.250000 Total energy: -4364.950654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4364.950654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.094913 (E_RNA) where: Base-Base interactions energy: -58.322 where: short stacking energy: -19.587 Base-Backbone interact. energy: -0.013 local terms energy: -21.759364 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: -4284.856 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -4263.799280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4263.799280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.475607 (E_RNA) where: Base-Base interactions energy: -55.671 where: short stacking energy: -20.246 Base-Backbone interact. energy: -0.012 local terms energy: -18.792890 where: bonds (distance) C4'-P energy: -2.009 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: 4.283 tors. eta vs tors. theta energy: -5.201 Dist. restrs. and SS energy: -4189.324 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -4310.566087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4310.566087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.036605 (E_RNA) where: Base-Base interactions energy: -54.982 where: short stacking energy: -20.661 Base-Backbone interact. energy: -0.038 local terms energy: -23.017174 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -4.753 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: -4232.529 (S_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: 28 Temperature: 0.900000 Total energy: -9550.670228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9550.670228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.635913 (E_RNA) where: Base-Base interactions energy: -69.141 where: short stacking energy: -24.586 Base-Backbone interact. energy: -0.097 local terms energy: -27.397870 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: -9454.034 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -4537.311649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4537.311649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.901024 (E_RNA) where: Base-Base interactions energy: -65.971 where: short stacking energy: -25.395 Base-Backbone interact. energy: -0.002 local terms energy: -34.927687 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: -4436.411 (S_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: 28 Temperature: 1.000000 Total energy: -4358.721051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4358.721051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.117087 (E_RNA) where: Base-Base interactions energy: -71.639 where: short stacking energy: -29.491 Base-Backbone interact. energy: -0.004 local terms energy: -28.474675 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: -4258.604 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -4361.357695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4361.357695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.972354 (E_RNA) where: Base-Base interactions energy: -66.318 where: short stacking energy: -34.942 Base-Backbone interact. energy: -0.178 local terms energy: -35.476898 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -7.644 Dist. restrs. and SS energy: -4259.385 (S_DIST_RNA) chem. 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: -4516.330288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4516.330288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.275611 (E_RNA) where: Base-Base interactions energy: -64.646 where: short stacking energy: -28.118 Base-Backbone interact. energy: -0.011 local terms energy: -28.618171 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -0.304 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: -4423.055 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -4425.330512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4425.330512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.870272 (E_RNA) where: Base-Base interactions energy: -60.520 where: short stacking energy: -32.838 Base-Backbone interact. energy: -0.000 local terms energy: -27.349467 where: bonds (distance) C4'-P energy: -5.708 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: -4337.460 (S_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: 28 Temperature: 1.200000 Total energy: -4547.760190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4547.760190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.274942 (E_RNA) where: Base-Base interactions energy: -44.672 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.001 local terms energy: -23.602821 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -3.952 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: -4479.485 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -4474.712515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4474.712515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.982394 (E_RNA) where: Base-Base interactions energy: -63.016 where: short stacking energy: -25.758 Base-Backbone interact. energy: -0.138 local terms energy: -26.828654 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: -4384.730 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -4483.656441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4483.656441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.083520 (E_RNA) where: Base-Base interactions energy: -62.491 where: short stacking energy: -23.202 Base-Backbone interact. energy: -0.099 local terms energy: -26.493361 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: -4394.573 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -4462.968322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4462.968322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.265251 (E_RNA) where: Base-Base interactions energy: -62.863 where: short stacking energy: -26.917 Base-Backbone interact. energy: -0.003 local terms energy: -24.399562 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -8.843 flat angles P-C4'-P energy: -0.956 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: -4375.703 (S_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: 29 Temperature: 0.900000 Total energy: -9954.683775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9954.683775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.299191 (E_RNA) where: Base-Base interactions energy: -61.025 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.738 local terms energy: -32.535811 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: -9860.385 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -4614.992950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4614.992950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.819672 (E_RNA) where: Base-Base interactions energy: -64.636 where: short stacking energy: -29.572 Base-Backbone interact. energy: -0.003 local terms energy: -34.180680 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -6.986 Dist. restrs. and SS energy: -4516.173 (S_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: 29 Temperature: 1.000000 Total energy: -4446.927665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4446.927665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.094853 (E_RNA) where: Base-Base interactions energy: -65.621 where: short stacking energy: -31.078 Base-Backbone interact. energy: -0.166 local terms energy: -34.307909 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: -4346.833 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -4640.265769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4640.265769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.767114 (E_RNA) where: Base-Base interactions energy: -70.265 where: short stacking energy: -25.212 Base-Backbone interact. energy: -0.006 local terms energy: -30.495800 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: -4539.499 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -4484.577865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4484.577865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.751258 (E_RNA) where: Base-Base interactions energy: -67.755 where: short stacking energy: -24.466 Base-Backbone interact. energy: -0.002 local terms energy: -30.994141 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: -4385.827 (S_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: 29 Temperature: 1.150000 Total energy: -4819.044213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4819.044213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.258985 (E_RNA) where: Base-Base interactions energy: -61.755 where: short stacking energy: -32.861 Base-Backbone interact. energy: -0.009 local terms energy: -27.494419 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -6.695 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: -4729.785 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -4547.770473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4547.770473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.041923 (E_RNA) where: Base-Base interactions energy: -63.103 where: short stacking energy: -33.779 Base-Backbone interact. energy: -0.000 local terms energy: -36.939070 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -8.760 Dist. restrs. and SS energy: -4447.729 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -4650.510393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4650.510393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.420704 (E_RNA) where: Base-Base interactions energy: -52.605 where: short stacking energy: -24.243 Base-Backbone interact. energy: -0.010 local terms energy: -25.806167 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: -4572.090 (S_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: 29 Temperature: 1.300000 Total energy: -4645.947554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4645.947554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.454128 (E_RNA) where: Base-Base interactions energy: -66.496 where: short stacking energy: -19.991 Base-Backbone interact. energy: -0.015 local terms energy: -15.943438 where: bonds (distance) C4'-P energy: 0.030 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: 1.631 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: -4563.493 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -4611.105283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4611.105283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.764670 (E_RNA) where: Base-Base interactions energy: -60.041 where: short stacking energy: -31.225 Base-Backbone interact. energy: -0.000 local terms energy: -26.723849 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -2.831 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -7.093 Dist. restrs. and SS energy: -4524.341 (S_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: 30 Temperature: 0.900000 Total energy: -10380.464732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10380.464732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.803850 (E_RNA) where: Base-Base interactions energy: -60.634 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.024 local terms energy: -26.145366 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: -10293.661 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -4704.580039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4704.580039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.216106 (E_RNA) where: Base-Base interactions energy: -61.750 where: short stacking energy: -22.149 Base-Backbone interact. energy: -0.009 local terms energy: -24.457293 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -1.184 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: -4618.364 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -4752.501286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4752.501286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.683087 (E_RNA) where: Base-Base interactions energy: -66.141 where: short stacking energy: -24.309 Base-Backbone interact. energy: -0.561 local terms energy: -26.981069 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -5.063 Dist. restrs. and SS energy: -4658.818 (S_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: 30 Temperature: 1.050000 Total energy: -4556.183444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4556.183444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.390918 (E_RNA) where: Base-Base interactions energy: -68.160 where: short stacking energy: -35.132 Base-Backbone interact. energy: -0.000 local terms energy: -33.230404 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -6.909 Dist. restrs. and SS energy: -4454.793 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -4989.293991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4989.293991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.208857 (E_RNA) where: Base-Base interactions energy: -59.395 where: short stacking energy: -25.100 Base-Backbone interact. energy: -0.000 local terms energy: -33.814173 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -8.152 Dist. restrs. and SS energy: -4896.085 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -4637.849687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4637.849687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.178231 (E_RNA) where: Base-Base interactions energy: -67.208 where: short stacking energy: -32.315 Base-Backbone interact. energy: -0.000 local terms energy: -29.969787 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -7.389 Dist. restrs. and SS energy: -4540.671 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -4802.566696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4802.566696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.730803 (E_RNA) where: Base-Base interactions energy: -57.573 where: short stacking energy: -27.715 Base-Backbone interact. energy: -0.388 local terms energy: -32.770621 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -7.534 Dist. restrs. and SS energy: -4711.836 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -4686.279606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4686.279606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.920774 (E_RNA) where: Base-Base interactions energy: -61.506 where: short stacking energy: -31.592 Base-Backbone interact. energy: -0.245 local terms energy: -34.170523 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -7.408 Dist. restrs. and SS energy: -4590.359 (S_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: 30 Temperature: 1.300000 Total energy: -4798.961798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4798.961798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.817942 (E_RNA) where: Base-Base interactions energy: -62.514 where: short stacking energy: -30.014 Base-Backbone interact. energy: -0.350 local terms energy: -26.953927 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -4.520 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: -4709.144 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -4789.735741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4789.735741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.232021 (E_RNA) where: Base-Base interactions energy: -76.863 where: short stacking energy: -24.077 Base-Backbone interact. energy: -0.578 local terms energy: -14.791065 where: bonds (distance) C4'-P energy: -1.771 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: 2.693 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: -4697.504 (S_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: 31 Temperature: 0.900000 Total energy: -10835.126521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10835.126521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.718873 (E_RNA) where: Base-Base interactions energy: -68.412 where: short stacking energy: -26.222 Base-Backbone interact. energy: -0.843 local terms energy: -28.463558 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: -10737.408 (S_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: 31 Temperature: 0.950000 Total energy: -4857.283423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4857.283423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.761749 (E_RNA) where: Base-Base interactions energy: -66.873 where: short stacking energy: -37.065 Base-Backbone interact. energy: -0.907 local terms energy: -32.981060 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -6.877 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: -4756.522 (S_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: 31 Temperature: 1.000000 Total energy: -4790.144637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4790.144637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.928635 (E_RNA) where: Base-Base interactions energy: -66.095 where: short stacking energy: -28.317 Base-Backbone interact. energy: -0.000 local terms energy: -28.833162 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.245 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -8.293 Dist. restrs. and SS energy: -4695.216 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -5121.726657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5121.726657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.633333 (E_RNA) where: Base-Base interactions energy: -65.213 where: short stacking energy: -23.122 Base-Backbone interact. energy: -0.001 local terms energy: -30.419620 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: -5026.093 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -4672.751366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4672.751366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.533083 (E_RNA) where: Base-Base interactions energy: -60.186 where: short stacking energy: -22.221 Base-Backbone interact. energy: -0.056 local terms energy: -28.291508 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: -4584.218 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -4893.380954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4893.380954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.592144 (E_RNA) where: Base-Base interactions energy: -62.223 where: short stacking energy: -30.681 Base-Backbone interact. energy: -0.000 local terms energy: -25.369207 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -1.871 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: -4805.789 (S_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: 31 Temperature: 1.200000 Total energy: -4777.708871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4777.708871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.662265 (E_RNA) where: Base-Base interactions energy: -61.991 where: short stacking energy: -32.838 Base-Backbone interact. energy: -0.000 local terms energy: -30.671005 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: -4685.047 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -4947.140647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4947.140647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.220463 (E_RNA) where: Base-Base interactions energy: -56.908 where: short stacking energy: -16.326 Base-Backbone interact. energy: -0.005 local terms energy: -22.307510 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -1.725 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: -4867.920 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -4850.398825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4850.398825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.022651 (E_RNA) where: Base-Base interactions energy: -64.282 where: short stacking energy: -32.800 Base-Backbone interact. energy: -0.000 local terms energy: -25.740247 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -1.700 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -7.648 Dist. restrs. and SS energy: -4760.376 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -4963.410408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4963.410408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.737291 (E_RNA) where: Base-Base interactions energy: -63.645 where: short stacking energy: -30.550 Base-Backbone interact. energy: -0.001 local terms energy: -27.091378 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -1.218 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: -4872.673 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -11263.990338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11263.990338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.019043 (E_RNA) where: Base-Base interactions energy: -67.555 where: short stacking energy: -25.113 Base-Backbone interact. energy: -0.077 local terms energy: -27.386907 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: -11168.971 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -4954.000861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4954.000861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.709725 (E_RNA) where: Base-Base interactions energy: -66.404 where: short stacking energy: -28.448 Base-Backbone interact. energy: -0.005 local terms energy: -33.300345 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.680 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: -4854.291 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -5262.754848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5262.754848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.078273 (E_RNA) where: Base-Base interactions energy: -66.259 where: short stacking energy: -34.416 Base-Backbone interact. energy: -1.943 local terms energy: -33.876630 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -8.288 Dist. restrs. and SS energy: -5160.677 (S_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: 32 Temperature: 1.050000 Total energy: -4897.908003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4897.908003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.280991 (E_RNA) where: Base-Base interactions energy: -65.405 where: short stacking energy: -29.735 Base-Backbone interact. energy: -0.002 local terms energy: -26.874120 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -2.383 tors. eta vs tors. theta energy: -5.746 Dist. restrs. and SS energy: -4805.627 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -5031.628378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5031.628378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.575874 (E_RNA) where: Base-Base interactions energy: -77.575 where: short stacking energy: -23.670 Base-Backbone interact. energy: 0.693 local terms energy: -24.694405 where: bonds (distance) C4'-P energy: -3.290 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: -4930.053 (S_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: 32 Temperature: 1.150000 Total energy: -4864.461506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4864.461506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.700904 (E_RNA) where: Base-Base interactions energy: -63.846 where: short stacking energy: -26.357 Base-Backbone interact. energy: 0.528 local terms energy: -29.382936 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -5.457 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -6.474 Dist. restrs. and SS energy: -4771.761 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -5065.241111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5065.241111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.448932 (E_RNA) where: Base-Base interactions energy: -66.381 where: short stacking energy: -30.206 Base-Backbone interact. energy: -0.131 local terms energy: -30.936880 where: bonds (distance) C4'-P energy: -1.278 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -7.712 Dist. restrs. and SS energy: -4967.792 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -4957.122156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -4957.122156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.430696 (E_RNA) where: Base-Base interactions energy: -41.957 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.099 local terms energy: -30.374894 where: bonds (distance) C4'-P energy: -4.072 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: -4884.691 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -5160.957885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5160.957885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.908067 (E_RNA) where: Base-Base interactions energy: -57.393 where: short stacking energy: -27.970 Base-Backbone interact. energy: -0.102 local terms energy: -29.413081 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -6.219 Dist. restrs. and SS energy: -5074.050 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -5071.558445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5071.558445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.866514 (E_RNA) where: Base-Base interactions energy: -59.290 where: short stacking energy: -26.606 Base-Backbone interact. energy: -0.002 local terms energy: -18.574888 where: bonds (distance) C4'-P energy: -2.926 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -2.372 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: -4993.692 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -11672.895117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11672.895117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.705013 (E_RNA) where: Base-Base interactions energy: -73.599 where: short stacking energy: -24.812 Base-Backbone interact. energy: -0.730 local terms energy: -30.375231 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -9.002 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: -11568.190 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -5375.603166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5375.603166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.079075 (E_RNA) where: Base-Base interactions energy: -66.210 where: short stacking energy: -30.012 Base-Backbone interact. energy: -0.416 local terms energy: -28.452855 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: 0.140 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: -5280.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -5070.616979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5070.616979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.388098 (E_RNA) where: Base-Base interactions energy: -62.268 where: short stacking energy: -23.437 Base-Backbone interact. energy: -0.072 local terms energy: -31.048040 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: -4977.229 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -5140.487903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5140.487903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.318723 (E_RNA) where: Base-Base interactions energy: -65.056 where: short stacking energy: -32.435 Base-Backbone interact. energy: -0.008 local terms energy: -27.254894 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: -5048.169 (S_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: 33 Temperature: 1.100000 Total energy: -5065.278665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5065.278665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.277595 (E_RNA) where: Base-Base interactions energy: -67.124 where: short stacking energy: -32.717 Base-Backbone interact. energy: -1.053 local terms energy: -38.101018 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -9.559 Dist. restrs. and SS energy: -4959.001 (S_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: -5197.769242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5197.769242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.169586 (E_RNA) where: Base-Base interactions energy: -62.103 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.001 local terms energy: -28.065574 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: 0.099 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: -5107.600 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -5022.661077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5022.661077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.940170 (E_RNA) where: Base-Base interactions energy: -59.841 where: short stacking energy: -22.423 Base-Backbone interact. energy: 5.969 local terms energy: -28.068240 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.617 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: -4940.721 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -5319.703316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5319.703316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.397785 (E_RNA) where: Base-Base interactions energy: -58.772 where: short stacking energy: -25.518 Base-Backbone interact. energy: -0.051 local terms energy: -26.574871 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -1.919 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: -5234.306 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -5219.827664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5219.827664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.848749 (E_RNA) where: Base-Base interactions energy: -58.755 where: short stacking energy: -21.556 Base-Backbone interact. energy: -0.020 local terms energy: -29.074072 where: bonds (distance) C4'-P energy: -5.898 bonds (distance) P-C4' energy: -7.373 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: -5131.979 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -5387.256958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5387.256958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.277382 (E_RNA) where: Base-Base interactions energy: -50.976 where: short stacking energy: -19.813 Base-Backbone interact. energy: -0.020 local terms energy: -20.281310 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -2.689 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: 0.166 Dist. restrs. and SS energy: -5315.980 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -12024.655931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12024.655931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.810697 (E_RNA) where: Base-Base interactions energy: -69.185 where: short stacking energy: -25.535 Base-Backbone interact. energy: -0.701 local terms energy: -27.924698 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -5.684 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: -11926.845 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -5536.732428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5536.732428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.949069 (E_RNA) where: Base-Base interactions energy: -66.411 where: short stacking energy: -17.450 Base-Backbone interact. energy: -0.002 local terms energy: -30.535474 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: -5439.783 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -5299.093600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5299.093600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.244586 (E_RNA) where: Base-Base interactions energy: -68.431 where: short stacking energy: -29.920 Base-Backbone interact. energy: -0.575 local terms energy: -32.238258 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -1.997 tors. eta vs tors. theta energy: -5.764 Dist. restrs. and SS energy: -5197.849 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -5192.599732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5192.599732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.012381 (E_RNA) where: Base-Base interactions energy: -58.921 where: short stacking energy: -25.710 Base-Backbone interact. energy: 0.526 local terms energy: -33.617229 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: -5100.587 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -5353.662993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5353.662993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.641642 (E_RNA) where: Base-Base interactions energy: -65.871 where: short stacking energy: -27.230 Base-Backbone interact. energy: -0.035 local terms energy: -24.736028 where: bonds (distance) C4'-P energy: -6.144 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: -5263.021 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -5178.988116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5178.988116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.441276 (E_RNA) where: Base-Base interactions energy: -59.157 where: short stacking energy: -24.060 Base-Backbone interact. energy: -0.006 local terms energy: -31.278716 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: -5088.547 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -5479.798276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5479.798276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.904287 (E_RNA) where: Base-Base interactions energy: -56.630 where: short stacking energy: -25.867 Base-Backbone interact. energy: -0.409 local terms energy: -28.864729 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: 0.030 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: -5393.894 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -5194.673542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5194.673542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.007485 (E_RNA) where: Base-Base interactions energy: -62.008 where: short stacking energy: -22.284 Base-Backbone interact. energy: 0.337 local terms energy: -26.336515 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -2.614 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: -5106.666 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -5645.769441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5645.769441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.538511 (E_RNA) where: Base-Base interactions energy: -56.947 where: short stacking energy: -25.170 Base-Backbone interact. energy: -0.051 local terms energy: -25.540477 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: -5563.231 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -5429.078344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5429.078344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.268068 (E_RNA) where: Base-Base interactions energy: -65.916 where: short stacking energy: -30.928 Base-Backbone interact. energy: -0.049 local terms energy: -25.302692 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: 0.687 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: -5337.810 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -12267.874795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12267.874795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.076629 (E_RNA) where: Base-Base interactions energy: -67.068 where: short stacking energy: -23.429 Base-Backbone interact. energy: -0.382 local terms energy: -28.626192 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: -12171.798 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -5671.594086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5671.594086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.760459 (E_RNA) where: Base-Base interactions energy: -75.070 where: short stacking energy: -22.131 Base-Backbone interact. energy: -0.026 local terms energy: -22.664539 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -2.617 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: -5573.834 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -5398.687995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5398.687995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.257402 (E_RNA) where: Base-Base interactions energy: -67.133 where: short stacking energy: -27.625 Base-Backbone interact. energy: -0.001 local terms energy: -33.123650 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -7.464 Dist. restrs. and SS energy: -5298.431 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -5468.310332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5468.310332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.798659 (E_RNA) where: Base-Base interactions energy: -66.210 where: short stacking energy: -27.937 Base-Backbone interact. energy: -0.010 local terms energy: -31.579162 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.636 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: -5370.512 (S_DIST_RNA) chem. 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: -5313.237758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5313.237758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.547369 (E_RNA) where: Base-Base interactions energy: -62.175 where: short stacking energy: -24.770 Base-Backbone interact. energy: -0.003 local terms energy: -37.369445 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: -5213.690 (S_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: 35 Temperature: 1.150000 Total energy: -5750.935821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5750.935821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.592321 (E_RNA) where: Base-Base interactions energy: -53.915 where: short stacking energy: -23.812 Base-Backbone interact. energy: -0.018 local terms energy: -26.659079 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: -5670.343 (S_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: 35 Temperature: 1.200000 Total energy: -5313.542458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5313.542458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.982941 (E_RNA) where: Base-Base interactions energy: -65.647 where: short stacking energy: -32.142 Base-Backbone interact. energy: -2.773 local terms energy: -34.562861 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -8.090 Dist. restrs. and SS energy: -5210.560 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -5777.640012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5777.640012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.601170 (E_RNA) where: Base-Base interactions energy: -58.439 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.012 local terms energy: -26.149846 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: -5693.039 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -5329.751325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5329.751325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.355318 (E_RNA) where: Base-Base interactions energy: -59.084 where: short stacking energy: -28.849 Base-Backbone interact. energy: -0.023 local terms energy: -34.248208 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -3.230 flat angles C4'-P-C4' energy: -9.229 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: -5236.396 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -5618.114956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5618.114956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.031445 (E_RNA) where: Base-Base interactions energy: -65.172 where: short stacking energy: -32.789 Base-Backbone interact. energy: -0.633 local terms energy: -29.225556 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -7.668 Dist. restrs. and SS energy: -5523.084 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -12674.132471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12674.132471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.949251 (E_RNA) where: Base-Base interactions energy: -59.659 where: short stacking energy: -20.187 Base-Backbone interact. energy: -0.118 local terms energy: -19.172112 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -1.080 flat angles P-C4'-P energy: -0.177 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: -12595.183 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -5752.384371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5752.384371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.725482 (E_RNA) where: Base-Base interactions energy: -72.522 where: short stacking energy: -25.159 Base-Backbone interact. energy: -0.002 local terms energy: -27.201431 where: bonds (distance) C4'-P energy: -5.915 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -1.526 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: -5652.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -5589.520580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5589.520580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.826156 (E_RNA) where: Base-Base interactions energy: -61.944 where: short stacking energy: -22.608 Base-Backbone interact. energy: -0.126 local terms energy: -34.755449 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.786 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: -5492.694 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -5504.626742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5504.626742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.196857 (E_RNA) where: Base-Base interactions energy: -62.162 where: short stacking energy: -28.909 Base-Backbone interact. energy: -0.001 local terms energy: -31.033765 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -1.566 tors. eta vs tors. theta energy: -8.291 Dist. restrs. and SS energy: -5411.430 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -5955.793604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5955.793604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.793216 (E_RNA) where: Base-Base interactions energy: -70.309 where: short stacking energy: -27.020 Base-Backbone interact. energy: -0.001 local terms energy: -27.483343 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: -5858.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -5411.023082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5411.023082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.694685 (E_RNA) where: Base-Base interactions energy: -62.130 where: short stacking energy: -32.761 Base-Backbone interact. energy: -0.001 local terms energy: -32.564204 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -7.615 Dist. restrs. and SS energy: -5316.328 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -5967.444770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5967.444770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.908136 (E_RNA) where: Base-Base interactions energy: -69.631 where: short stacking energy: -22.371 Base-Backbone interact. energy: 1.509 local terms energy: -26.786458 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: -5872.537 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -5447.951708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5447.951708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.292479 (E_RNA) where: Base-Base interactions energy: -60.775 where: short stacking energy: -30.574 Base-Backbone interact. energy: -0.000 local terms energy: -33.517243 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: -5353.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -5790.693014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5790.693014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.570551 (E_RNA) where: Base-Base interactions energy: -56.783 where: short stacking energy: -28.434 Base-Backbone interact. energy: -0.001 local terms energy: -32.787135 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: -5701.122 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -5527.859978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5527.859978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.175686 (E_RNA) where: Base-Base interactions energy: -56.482 where: short stacking energy: -25.502 Base-Backbone interact. energy: -0.016 local terms energy: -19.677473 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -5.268 flat angles C4'-P-C4' energy: -3.033 flat angles P-C4'-P energy: 2.307 tors. eta vs tors. theta energy: -8.254 Dist. restrs. and SS energy: -5451.684 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -13091.675222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13091.675222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.294494 (E_RNA) where: Base-Base interactions energy: -64.361 where: short stacking energy: -19.480 Base-Backbone interact. energy: 0.764 local terms energy: -31.698202 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.703 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: -12996.381 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -5825.123844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5825.123844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.859618 (E_RNA) where: Base-Base interactions energy: -68.681 where: short stacking energy: -33.764 Base-Backbone interact. energy: -1.761 local terms energy: -27.417096 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -2.096 tors. eta vs tors. theta energy: -8.541 Dist. restrs. and SS energy: -5727.264 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -5692.625804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5692.625804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.529393 (E_RNA) where: Base-Base interactions energy: -65.846 where: short stacking energy: -22.356 Base-Backbone interact. energy: -0.001 local terms energy: -30.683146 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -8.314 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: -5596.096 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -6084.221858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6084.221858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.185724 (E_RNA) where: Base-Base interactions energy: -63.017 where: short stacking energy: -18.939 Base-Backbone interact. energy: -0.032 local terms energy: -28.137570 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: -5993.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -5735.220226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5735.220226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.847069 (E_RNA) where: Base-Base interactions energy: -59.404 where: short stacking energy: -26.334 Base-Backbone interact. energy: 2.224 local terms energy: -29.667313 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: -5648.373 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -6114.832900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6114.832900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.385658 (E_RNA) where: Base-Base interactions energy: -69.600 where: short stacking energy: -29.133 Base-Backbone interact. energy: -0.013 local terms energy: -27.772025 where: bonds (distance) C4'-P energy: -5.390 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: -6017.447 (S_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: 37 Temperature: 1.200000 Total energy: -5590.187010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5590.187010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.402738 (E_RNA) where: Base-Base interactions energy: -66.420 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.434 local terms energy: -32.548683 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -4.409 Dist. restrs. and SS energy: -5490.784 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -6145.321562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6145.321562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.644981 (E_RNA) where: Base-Base interactions energy: -57.823 where: short stacking energy: -22.403 Base-Backbone interact. energy: -0.284 local terms energy: -24.537963 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -5.754 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -1.230 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: -6062.677 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -5607.901029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5607.901029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.681944 (E_RNA) where: Base-Base interactions energy: -61.426 where: short stacking energy: -25.365 Base-Backbone interact. energy: -0.195 local terms energy: -26.060887 where: bonds (distance) C4'-P energy: -3.606 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: -5520.219 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -5687.219049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5687.219049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.333400 (E_RNA) where: Base-Base interactions energy: -60.839 where: short stacking energy: -22.901 Base-Backbone interact. energy: -0.008 local terms energy: -20.486935 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -3.775 flat angles C4'-P-C4' energy: -2.538 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -7.414 Dist. restrs. and SS energy: -5605.886 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -13385.244022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13385.244022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.495866 (E_RNA) where: Base-Base interactions energy: -62.855 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.100 local terms energy: -27.541408 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: -13294.748 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -5919.108297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5919.108297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.896561 (E_RNA) where: Base-Base interactions energy: -65.822 where: short stacking energy: -27.484 Base-Backbone interact. energy: -0.007 local terms energy: -34.067570 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -6.796 Dist. restrs. and SS energy: -5819.212 (S_DIST_RNA) chem. 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: -6207.001761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6207.001761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.877732 (E_RNA) where: Base-Base interactions energy: -68.670 where: short stacking energy: -26.565 Base-Backbone interact. energy: -0.582 local terms energy: -31.625866 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: -6106.124 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -5824.137504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5824.137504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.228470 (E_RNA) where: Base-Base interactions energy: -76.166 where: short stacking energy: -29.275 Base-Backbone interact. energy: -0.002 local terms energy: -26.060798 where: bonds (distance) C4'-P energy: -6.245 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -1.660 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: -5721.909 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -6233.592794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6233.592794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.503604 (E_RNA) where: Base-Base interactions energy: -69.640 where: short stacking energy: -33.229 Base-Backbone interact. energy: -0.000 local terms energy: -33.863983 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: -6130.089 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -5938.354612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5938.354612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.605853 (E_RNA) where: Base-Base interactions energy: -66.979 where: short stacking energy: -24.390 Base-Backbone interact. energy: -0.001 local terms energy: -27.625855 where: bonds (distance) C4'-P energy: -6.465 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: -5843.749 (S_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: 38 Temperature: 1.200000 Total energy: -6440.091656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6440.091656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.058883 (E_RNA) where: Base-Base interactions energy: -58.297 where: short stacking energy: -30.363 Base-Backbone interact. energy: -0.063 local terms energy: -25.699634 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: -6356.033 (S_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: 38 Temperature: 1.250000 Total energy: -5753.748788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5753.748788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.859584 (E_RNA) where: Base-Base interactions energy: -57.845 where: short stacking energy: -20.763 Base-Backbone interact. energy: -0.007 local terms energy: -33.007294 where: bonds (distance) C4'-P energy: -5.300 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: -5662.889 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -5866.585424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5866.585424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.225296 (E_RNA) where: Base-Base interactions energy: -55.420 where: short stacking energy: -18.411 Base-Backbone interact. energy: -0.042 local terms energy: -28.763458 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: -5782.360 (S_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: -5805.549927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5805.549927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.483281 (E_RNA) where: Base-Base interactions energy: -55.821 where: short stacking energy: -26.608 Base-Backbone interact. energy: 0.239 local terms energy: -19.900369 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -2.054 flat angles C4'-P-C4' energy: -2.358 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: -5730.067 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -13514.534505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13514.534505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.388087 (E_RNA) where: Base-Base interactions energy: -61.695 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.765 local terms energy: -28.927614 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: -13423.146 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -6280.603031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6280.603031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.076326 (E_RNA) where: Base-Base interactions energy: -61.860 where: short stacking energy: -27.301 Base-Backbone interact. energy: -0.000 local terms energy: -35.216000 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: -6183.527 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -6018.548995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6018.548995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.340721 (E_RNA) where: Base-Base interactions energy: -67.243 where: short stacking energy: -28.772 Base-Backbone interact. energy: -0.007 local terms energy: -26.090877 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.213 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -0.410 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: -5925.208 (S_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: 39 Temperature: 1.050000 Total energy: -6342.861138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6342.861138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.683570 (E_RNA) where: Base-Base interactions energy: -63.163 where: short stacking energy: -31.231 Base-Backbone interact. energy: -0.002 local terms energy: -32.519081 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: -6247.178 (S_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: 39 Temperature: 1.100000 Total energy: -5933.618072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5933.618072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.549567 (E_RNA) where: Base-Base interactions energy: -64.365 where: short stacking energy: -19.686 Base-Backbone interact. energy: -0.004 local terms energy: -28.180254 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: -5841.069 (S_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: 39 Temperature: 1.150000 Total energy: -6584.895070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6584.895070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.555872 (E_RNA) where: Base-Base interactions energy: -56.870 where: short stacking energy: -24.468 Base-Backbone interact. energy: -0.170 local terms energy: -34.516017 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -7.143 Dist. restrs. and SS energy: -6493.339 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -6060.190972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6060.190972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.198549 (E_RNA) where: Base-Base interactions energy: -57.327 where: short stacking energy: -23.536 Base-Backbone interact. energy: -0.171 local terms energy: -29.701153 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: 1.568 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: -5972.992 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -6043.904237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6043.904237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.614309 (E_RNA) where: Base-Base interactions energy: -55.870 where: short stacking energy: -21.253 Base-Backbone interact. energy: -0.640 local terms energy: -32.104292 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: -5955.290 (S_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: 39 Temperature: 1.300000 Total energy: -6069.775756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6069.775756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.292402 (E_RNA) where: Base-Base interactions energy: -44.200 where: short stacking energy: -18.938 Base-Backbone interact. energy: -1.317 local terms energy: -24.775644 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: -5999.483 (S_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: -5987.156742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -5987.156742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.228266 (E_RNA) where: Base-Base interactions energy: -59.893 where: short stacking energy: -24.213 Base-Backbone interact. energy: -0.371 local terms energy: -26.964093 where: bonds (distance) C4'-P energy: -4.658 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -6.868 Dist. restrs. and SS energy: -5899.928 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -13675.996343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13675.996343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.162465 (E_RNA) where: Base-Base interactions energy: -78.096 where: short stacking energy: -26.583 Base-Backbone interact. energy: -0.004 local terms energy: -25.063056 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: 0.417 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: -13572.834 (S_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: 40 Temperature: 0.950000 Total energy: -6391.004049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6391.004049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.625685 (E_RNA) where: Base-Base interactions energy: -67.622 where: short stacking energy: -28.666 Base-Backbone interact. energy: -0.686 local terms energy: -34.317483 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: -6288.378 (S_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: 40 Temperature: 1.000000 Total energy: -6460.596337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6460.596337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.732213 (E_RNA) where: Base-Base interactions energy: -68.852 where: short stacking energy: -33.217 Base-Backbone interact. energy: -0.000 local terms energy: -25.880119 where: bonds (distance) C4'-P energy: -0.918 bonds (distance) P-C4' energy: -5.865 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -7.442 Dist. restrs. and SS energy: -6365.864 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -6117.931907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6117.931907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.695357 (E_RNA) where: Base-Base interactions energy: -68.266 where: short stacking energy: -28.013 Base-Backbone interact. energy: -0.000 local terms energy: -29.429211 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: -6020.237 (S_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: 40 Temperature: 1.100000 Total energy: -6712.522513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6712.522513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.437881 (E_RNA) where: Base-Base interactions energy: -64.852 where: short stacking energy: -32.655 Base-Backbone interact. energy: -2.035 local terms energy: -34.551036 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -8.391 Dist. restrs. and SS energy: -6611.085 (S_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: 40 Temperature: 1.150000 Total energy: -6075.983395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6075.983395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.856318 (E_RNA) where: Base-Base interactions energy: -66.160 where: short stacking energy: -22.910 Base-Backbone interact. energy: -0.002 local terms energy: -24.694706 where: bonds (distance) C4'-P energy: -4.480 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: 0.729 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: -5985.127 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -6195.235563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6195.235563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.236393 (E_RNA) where: Base-Base interactions energy: -63.446 where: short stacking energy: -31.299 Base-Backbone interact. energy: -0.685 local terms energy: -25.105623 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -7.408 Dist. restrs. and SS energy: -6105.999 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -6174.711564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6174.711564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.482130 (E_RNA) where: Base-Base interactions energy: -63.796 where: short stacking energy: -22.569 Base-Backbone interact. energy: -0.054 local terms energy: -12.632234 where: bonds (distance) C4'-P energy: -1.279 bonds (distance) P-C4' energy: 2.432 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: -6098.229 (S_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: 40 Temperature: 1.300000 Total energy: -6288.147044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6288.147044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.035151 (E_RNA) where: Base-Base interactions energy: -61.329 where: short stacking energy: -25.435 Base-Backbone interact. energy: -0.004 local terms energy: -29.702316 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -2.247 tors. eta vs tors. theta energy: -7.745 Dist. restrs. and SS energy: -6197.112 (S_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: -6196.688923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6196.688923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.995854 (E_RNA) where: Base-Base interactions energy: -63.323 where: short stacking energy: -23.441 Base-Backbone interact. energy: -0.000 local terms energy: -26.672305 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -0.089 tors. eta vs tors. theta energy: -6.698 Dist. restrs. and SS energy: -6106.693 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -13787.907254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13787.907254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.610257 (E_RNA) where: Base-Base interactions energy: -71.068 where: short stacking energy: -25.204 Base-Backbone interact. energy: -0.008 local terms energy: -30.534163 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: 0.277 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: -13686.297 (S_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: -6561.501627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6561.501627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.676750 (E_RNA) where: Base-Base interactions energy: -67.103 where: short stacking energy: -34.091 Base-Backbone interact. energy: -0.607 local terms energy: -37.966771 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.340 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: -6455.825 (S_DIST_RNA) chem. 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: -6496.268869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6496.268869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.237575 (E_RNA) where: Base-Base interactions energy: -62.078 where: short stacking energy: -22.083 Base-Backbone interact. energy: -0.004 local terms energy: -25.154743 where: bonds (distance) C4'-P energy: -3.894 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: -6409.031 (S_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: -6816.306267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6816.306267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.830715 (E_RNA) where: Base-Base interactions energy: -79.090 where: short stacking energy: -20.856 Base-Backbone interact. energy: -0.012 local terms energy: -26.728483 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -4.508 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: -6710.476 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -6229.602952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6229.602952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.263900 (E_RNA) where: Base-Base interactions energy: -66.331 where: short stacking energy: -34.401 Base-Backbone interact. energy: -0.379 local terms energy: -32.553944 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -1.855 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: -6130.339 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -6318.640711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6318.640711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.940757 (E_RNA) where: Base-Base interactions energy: -66.603 where: short stacking energy: -22.322 Base-Backbone interact. energy: -0.004 local terms energy: -26.333430 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: -6225.700 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -6211.257102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6211.257102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.947297 (E_RNA) where: Base-Base interactions energy: -63.277 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.870 local terms energy: -29.800615 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: -6117.310 (S_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: 41 Temperature: 1.250000 Total energy: -6440.718220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6440.718220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.288818 (E_RNA) where: Base-Base interactions energy: -65.260 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.011 local terms energy: -27.018275 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -6.289 Dist. restrs. and SS energy: -6348.429 (S_DIST_RNA) chem. 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: -6324.496875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6324.496875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.846717 (E_RNA) where: Base-Base interactions energy: -63.216 where: short stacking energy: -27.238 Base-Backbone interact. energy: -0.233 local terms energy: -16.397559 where: bonds (distance) C4'-P energy: -3.075 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -2.668 flat angles P-C4'-P energy: -0.825 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: -6244.650 (S_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: -6392.703507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6392.703507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.237722 (E_RNA) where: Base-Base interactions energy: -56.956 where: short stacking energy: -20.440 Base-Backbone interact. energy: -0.035 local terms energy: -26.246601 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: -6309.466 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -13896.270677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13896.270677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.015848 (E_RNA) where: Base-Base interactions energy: -73.374 where: short stacking energy: -23.850 Base-Backbone interact. energy: -0.070 local terms energy: -31.571798 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: -13791.255 (S_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: -6645.265769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6645.265769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.423432 (E_RNA) where: Base-Base interactions energy: -64.082 where: short stacking energy: -31.325 Base-Backbone interact. energy: -0.001 local terms energy: -33.340438 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: -6547.842 (S_DIST_RNA) chem. 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: -6921.084505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6921.084505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.019948 (E_RNA) where: Base-Base interactions energy: -70.200 where: short stacking energy: -23.606 Base-Backbone interact. energy: -0.003 local terms energy: -26.816137 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: -6824.065 (S_DIST_RNA) chem. 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: -6639.145424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6639.145424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.026738 (E_RNA) where: Base-Base interactions energy: -63.490 where: short stacking energy: -28.088 Base-Backbone interact. energy: -0.005 local terms energy: -21.531163 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: -6554.119 (S_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: 42 Temperature: 1.100000 Total energy: -6436.146462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6436.146462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.209577 (E_RNA) where: Base-Base interactions energy: -60.891 where: short stacking energy: -28.948 Base-Backbone interact. energy: -0.005 local terms energy: -30.313172 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: -6344.937 (S_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: -6359.674827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6359.674827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.721284 (E_RNA) where: Base-Base interactions energy: -66.376 where: short stacking energy: -34.363 Base-Backbone interact. energy: -0.002 local terms energy: -27.342681 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -1.680 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: -6265.954 (S_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: -6580.467185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6580.467185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.958124 (E_RNA) where: Base-Base interactions energy: -62.569 where: short stacking energy: -24.586 Base-Backbone interact. energy: 1.599 local terms energy: -22.988199 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: 0.854 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: -6496.509 (S_DIST_RNA) chem. 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: -6346.477962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6346.477962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.901190 (E_RNA) where: Base-Base interactions energy: -60.543 where: short stacking energy: -26.340 Base-Backbone interact. energy: -0.009 local terms energy: -32.349137 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: -6253.577 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -6590.536823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6590.536823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.412796 (E_RNA) where: Base-Base interactions energy: -60.242 where: short stacking energy: -24.048 Base-Backbone interact. energy: -0.015 local terms energy: -24.155590 where: bonds (distance) C4'-P energy: -6.341 bonds (distance) P-C4' energy: -6.561 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -0.111 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: -6506.124 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -6537.594017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6537.594017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.445560 (E_RNA) where: Base-Base interactions energy: -61.343 where: short stacking energy: -24.640 Base-Backbone interact. energy: -0.003 local terms energy: -33.099684 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -6.472 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -8.563 Dist. restrs. and SS energy: -6443.148 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -13980.482118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13980.482118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.950253 (E_RNA) where: Base-Base interactions energy: -63.719 where: short stacking energy: -29.829 Base-Backbone interact. energy: -0.002 local terms energy: -29.229215 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -8.556 Dist. restrs. and SS energy: -13887.532 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -7023.521571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7023.521571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.447497 (E_RNA) where: Base-Base interactions energy: -65.827 where: short stacking energy: -28.321 Base-Backbone interact. energy: -0.622 local terms energy: -32.998242 where: bonds (distance) C4'-P energy: -3.780 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: -6924.074 (S_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: 43 Temperature: 1.000000 Total energy: -6764.227628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6764.227628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.617509 (E_RNA) where: Base-Base interactions energy: -66.344 where: short stacking energy: -26.515 Base-Backbone interact. energy: -0.007 local terms energy: -32.266121 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: -6665.610 (S_DIST_RNA) chem. 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: -6762.699579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6762.699579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.649449 (E_RNA) where: Base-Base interactions energy: -58.628 where: short stacking energy: -24.660 Base-Backbone interact. energy: -0.159 local terms energy: -27.862708 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: -6676.050 (S_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: 43 Temperature: 1.100000 Total energy: -6560.432331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6560.432331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.291648 (E_RNA) where: Base-Base interactions energy: -58.087 where: short stacking energy: -25.887 Base-Backbone interact. energy: -0.002 local terms energy: -30.202072 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: -6472.141 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -6724.779204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6724.779204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.938981 (E_RNA) where: Base-Base interactions energy: -64.251 where: short stacking energy: -34.021 Base-Backbone interact. energy: -0.006 local terms energy: -33.682239 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: -6626.840 (S_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: 43 Temperature: 1.200000 Total energy: -6492.461282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6492.461282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.787009 (E_RNA) where: Base-Base interactions energy: -62.556 where: short stacking energy: -30.360 Base-Backbone interact. energy: -0.066 local terms energy: -29.164676 where: bonds (distance) C4'-P energy: -2.889 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: -6400.674 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -6743.484277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6743.484277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.412195 (E_RNA) where: Base-Base interactions energy: -54.539 where: short stacking energy: -21.054 Base-Backbone interact. energy: -0.056 local terms energy: -20.817988 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: -6668.072 (S_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: 43 Temperature: 1.300000 Total energy: -6526.068208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6526.068208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.112669 (E_RNA) where: Base-Base interactions energy: -63.121 where: short stacking energy: -21.626 Base-Backbone interact. energy: -0.000 local terms energy: -22.991201 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.486 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: -6439.956 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -6713.847456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6713.847456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.987773 (E_RNA) where: Base-Base interactions energy: -52.185 where: short stacking energy: -23.630 Base-Backbone interact. energy: -0.100 local terms energy: -30.703470 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: -6630.860 (S_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: 44 Temperature: 0.900000 Total energy: -14104.483786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14104.483786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.823924 (E_RNA) where: Base-Base interactions energy: -67.794 where: short stacking energy: -37.008 Base-Backbone interact. energy: -0.002 local terms energy: -39.027318 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -8.967 Dist. restrs. and SS energy: -13997.660 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -7123.258091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7123.258091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.923710 (E_RNA) where: Base-Base interactions energy: -70.100 where: short stacking energy: -25.060 Base-Backbone interact. energy: -0.041 local terms energy: -33.782643 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -7.554 Dist. restrs. and SS energy: -7019.334 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -6869.695233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6869.695233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.971030 (E_RNA) where: Base-Base interactions energy: -67.844 where: short stacking energy: -25.108 Base-Backbone interact. energy: 0.317 local terms energy: -23.444012 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: -6778.724 (S_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: 44 Temperature: 1.050000 Total energy: -6873.877834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6873.877834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.036958 (E_RNA) where: Base-Base interactions energy: -70.309 where: short stacking energy: -31.985 Base-Backbone interact. energy: -0.001 local terms energy: -28.727439 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: -6774.841 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -6875.773216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6875.773216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.884930 (E_RNA) where: Base-Base interactions energy: -67.133 where: short stacking energy: -26.111 Base-Backbone interact. energy: -0.045 local terms energy: -26.707646 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -2.951 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: -6781.888 (S_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: 44 Temperature: 1.150000 Total energy: -6741.962697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6741.962697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.770093 (E_RNA) where: Base-Base interactions energy: -71.676 where: short stacking energy: -36.106 Base-Backbone interact. energy: -0.000 local terms energy: -30.094173 where: bonds (distance) C4'-P energy: -2.586 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -7.903 Dist. restrs. and SS energy: -6640.193 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -6928.976371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6928.976371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.721792 (E_RNA) where: Base-Base interactions energy: -59.263 where: short stacking energy: -24.723 Base-Backbone interact. energy: -0.002 local terms energy: -25.457330 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -0.942 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: -6844.255 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -6643.149573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6643.149573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.800691 (E_RNA) where: Base-Base interactions energy: -60.019 where: short stacking energy: -26.998 Base-Backbone interact. energy: -0.489 local terms energy: -27.292958 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -1.165 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: -6555.349 (S_DIST_RNA) chem. 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: -6907.308820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6907.308820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.065433 (E_RNA) where: Base-Base interactions energy: -61.007 where: short stacking energy: -31.371 Base-Backbone interact. energy: -0.563 local terms energy: -26.495621 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -0.755 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: -6819.243 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -6718.187041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6718.187041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.023073 (E_RNA) where: Base-Base interactions energy: -61.723 where: short stacking energy: -29.711 Base-Backbone interact. energy: -0.005 local terms energy: -23.295231 where: bonds (distance) C4'-P energy: -1.561 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -1.557 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: -6633.164 (S_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: 45 Temperature: 0.900000 Total energy: -14209.856695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14209.856695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.289988 (E_RNA) where: Base-Base interactions energy: -70.390 where: short stacking energy: -32.241 Base-Backbone interact. energy: -0.000 local terms energy: -37.899472 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -9.277 Dist. restrs. and SS energy: -14101.567 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -7227.524099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7227.524099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.033561 (E_RNA) where: Base-Base interactions energy: -66.277 where: short stacking energy: -32.389 Base-Backbone interact. energy: -0.001 local terms energy: -31.756249 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: -7129.491 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -6965.764772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6965.764772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.844242 (E_RNA) where: Base-Base interactions energy: -69.378 where: short stacking energy: -19.102 Base-Backbone interact. energy: -0.013 local terms energy: -22.453268 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -1.431 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: -6873.921 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -6969.131386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6969.131386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.798408 (E_RNA) where: Base-Base interactions energy: -65.160 where: short stacking energy: -24.850 Base-Backbone interact. energy: -0.007 local terms energy: -25.631878 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -0.829 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: -6878.333 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -7001.067409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7001.067409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.166257 (E_RNA) where: Base-Base interactions energy: -61.240 where: short stacking energy: -25.861 Base-Backbone interact. energy: -0.008 local terms energy: -32.917902 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: -6906.901 (S_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: 45 Temperature: 1.150000 Total energy: -7069.169623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7069.169623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.167487 (E_RNA) where: Base-Base interactions energy: -68.613 where: short stacking energy: -36.399 Base-Backbone interact. energy: 1.681 local terms energy: -32.235363 where: bonds (distance) C4'-P energy: -6.760 bonds (distance) P-C4' energy: -6.587 flat angles C4'-P-C4' energy: -9.200 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: -6970.002 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -6877.226913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6877.226913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.171778 (E_RNA) where: Base-Base interactions energy: -59.752 where: short stacking energy: -31.113 Base-Backbone interact. energy: -0.000 local terms energy: -31.419723 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: -6786.055 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -7102.703366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7102.703366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.575863 (E_RNA) where: Base-Base interactions energy: -59.299 where: short stacking energy: -14.562 Base-Backbone interact. energy: -0.034 local terms energy: -22.242597 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -6.484 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: -7021.128 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -6833.287746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6833.287746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.000284 (E_RNA) where: Base-Base interactions energy: -60.587 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.008 local terms energy: -18.404644 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -2.098 flat angles P-C4'-P energy: 3.958 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: -6754.287 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -6914.560521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -6914.560521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.264719 (E_RNA) where: Base-Base interactions energy: -60.551 where: short stacking energy: -28.204 Base-Backbone interact. energy: -0.721 local terms energy: -36.992609 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -8.850 Dist. restrs. and SS energy: -6816.296 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -14300.407736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14300.407736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.633799 (E_RNA) where: Base-Base interactions energy: -64.406 where: short stacking energy: -35.287 Base-Backbone interact. energy: -0.564 local terms energy: -37.664177 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -8.969 Dist. restrs. and SS energy: -14197.774 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -7319.419488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7319.419488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.953391 (E_RNA) where: Base-Base interactions energy: -65.231 where: short stacking energy: -23.223 Base-Backbone interact. energy: -0.000 local terms energy: -31.722689 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: -7222.466 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -7096.396017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7096.396017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.174256 (E_RNA) where: Base-Base interactions energy: -68.021 where: short stacking energy: -22.452 Base-Backbone interact. energy: -0.051 local terms energy: -30.102658 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: -6998.222 (S_DIST_RNA) chem. 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: -7086.418392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7086.418392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.018007 (E_RNA) where: Base-Base interactions energy: -58.898 where: short stacking energy: -21.576 Base-Backbone interact. energy: -0.173 local terms energy: -31.947857 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: -6995.400 (S_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: 46 Temperature: 1.100000 Total energy: -7203.677327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7203.677327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.799688 (E_RNA) where: Base-Base interactions energy: -63.317 where: short stacking energy: -25.606 Base-Backbone interact. energy: -0.026 local terms energy: -29.456394 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: -7110.878 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -7144.925760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7144.925760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.354516 (E_RNA) where: Base-Base interactions energy: -63.601 where: short stacking energy: -20.517 Base-Backbone interact. energy: -0.002 local terms energy: -30.751499 where: bonds (distance) C4'-P energy: -6.012 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: -7050.571 (S_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: 46 Temperature: 1.200000 Total energy: -7252.910725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7252.910725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.673943 (E_RNA) where: Base-Base interactions energy: -51.894 where: short stacking energy: -21.890 Base-Backbone interact. energy: 0.023 local terms energy: -31.802824 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: -7169.237 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -7014.103110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7014.103110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.961862 (E_RNA) where: Base-Base interactions energy: -51.833 where: short stacking energy: -20.986 Base-Backbone interact. energy: -0.685 local terms energy: -33.443748 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: -6928.141 (S_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: 46 Temperature: 1.300000 Total energy: -7070.087160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7070.087160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.225753 (E_RNA) where: Base-Base interactions energy: -57.044 where: short stacking energy: -24.905 Base-Backbone interact. energy: -0.086 local terms energy: -30.095960 where: bonds (distance) C4'-P energy: -3.225 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: -6982.861 (S_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: 46 Temperature: 1.350000 Total energy: -7005.665434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7005.665434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.532029 (E_RNA) where: Base-Base interactions energy: -58.647 where: short stacking energy: -23.288 Base-Backbone interact. energy: -0.113 local terms energy: -20.771917 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.121 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: 0.071 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: -6926.133 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -14407.309676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14407.309676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.766932 (E_RNA) where: Base-Base interactions energy: -67.505 where: short stacking energy: -31.399 Base-Backbone interact. energy: -0.004 local terms energy: -29.258029 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -1.413 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: -14310.543 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -7431.198144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7431.198144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.940151 (E_RNA) where: Base-Base interactions energy: -68.745 where: short stacking energy: -27.976 Base-Backbone interact. energy: -0.006 local terms energy: -29.189349 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -1.266 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: -7333.258 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -7198.802633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7198.802633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.659850 (E_RNA) where: Base-Base interactions energy: -61.701 where: short stacking energy: -22.583 Base-Backbone interact. energy: -0.000 local terms energy: -25.958489 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -1.206 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: -7111.143 (S_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: 47 Temperature: 1.050000 Total energy: -7323.234800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7323.234800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.277069 (E_RNA) where: Base-Base interactions energy: -60.831 where: short stacking energy: -22.705 Base-Backbone interact. energy: -0.001 local terms energy: -30.444355 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -5.764 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -6.410 Dist. restrs. and SS energy: -7231.958 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -7187.424952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7187.424952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.561256 (E_RNA) where: Base-Base interactions energy: -65.580 where: short stacking energy: -27.318 Base-Backbone interact. energy: -0.001 local terms energy: -34.980151 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: -7086.864 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -7400.206844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7400.206844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.315856 (E_RNA) where: Base-Base interactions energy: -67.972 where: short stacking energy: -35.360 Base-Backbone interact. energy: -0.001 local terms energy: -36.342291 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -8.069 Dist. restrs. and SS energy: -7295.891 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -7286.218359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7286.218359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.578841 (E_RNA) where: Base-Base interactions energy: -61.932 where: short stacking energy: -27.360 Base-Backbone interact. energy: -0.006 local terms energy: -26.640619 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: -7197.640 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -7233.241037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7233.241037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.128506 (E_RNA) where: Base-Base interactions energy: -59.622 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.450 local terms energy: -31.056597 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -1.374 tors. eta vs tors. theta energy: -6.625 Dist. restrs. and SS energy: -7142.113 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -7211.491565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7211.491565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.450393 (E_RNA) where: Base-Base interactions energy: -61.142 where: short stacking energy: -30.858 Base-Backbone interact. energy: -0.004 local terms energy: -24.304139 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -1.030 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: -7126.041 (S_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: 47 Temperature: 1.350000 Total energy: -7180.725998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7180.725998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.440614 (E_RNA) where: Base-Base interactions energy: -60.285 where: short stacking energy: -27.123 Base-Backbone interact. energy: -0.001 local terms energy: -28.154903 where: bonds (distance) C4'-P energy: -2.128 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: -7092.285 (S_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: 48 Temperature: 0.900000 Total energy: -14519.350489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14519.350489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.005431 (E_RNA) where: Base-Base interactions energy: -71.194 where: short stacking energy: -35.516 Base-Backbone interact. energy: -0.001 local terms energy: -33.810413 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -1.304 tors. eta vs tors. theta energy: -8.808 Dist. restrs. and SS energy: -14414.345 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -7518.495351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7518.495351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.071887 (E_RNA) where: Base-Base interactions energy: -63.030 where: short stacking energy: -26.613 Base-Backbone interact. energy: -0.002 local terms energy: -31.039765 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: -7424.423 (S_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: 48 Temperature: 1.000000 Total energy: -7436.217274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7436.217274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.783118 (E_RNA) where: Base-Base interactions energy: -62.604 where: short stacking energy: -28.284 Base-Backbone interact. energy: -0.001 local terms energy: -32.178852 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -7.018 Dist. restrs. and SS energy: -7341.434 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -7326.542918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7326.542918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.331729 (E_RNA) where: Base-Base interactions energy: -63.362 where: short stacking energy: -27.712 Base-Backbone interact. energy: -1.013 local terms energy: -30.956338 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -7.421 Dist. restrs. and SS energy: -7231.211 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -7520.439780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7520.439780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.378922 (E_RNA) where: Base-Base interactions energy: -61.158 where: short stacking energy: -29.134 Base-Backbone interact. energy: -0.006 local terms energy: -31.214501 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: -7428.061 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -7349.961739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7349.961739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.814563 (E_RNA) where: Base-Base interactions energy: -68.857 where: short stacking energy: -22.566 Base-Backbone interact. energy: -0.005 local terms energy: -25.952558 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -4.848 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: -7255.147 (S_DIST_RNA) chem. 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: -7375.001200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7375.001200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.787778 (E_RNA) where: Base-Base interactions energy: -55.993 where: short stacking energy: -24.837 Base-Backbone interact. energy: -0.698 local terms energy: -27.097083 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.397 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: -7291.213 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -7428.093767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7428.093767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.733519 (E_RNA) where: Base-Base interactions energy: -64.634 where: short stacking energy: -27.384 Base-Backbone interact. energy: 2.567 local terms energy: -24.666776 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: -7341.360 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -7373.348001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7373.348001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.189781 (E_RNA) where: Base-Base interactions energy: -59.692 where: short stacking energy: -24.425 Base-Backbone interact. energy: -0.000 local terms energy: -29.497789 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -0.711 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: -7284.158 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -7383.149732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7383.149732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.766639 (E_RNA) where: Base-Base interactions energy: -68.230 where: short stacking energy: -26.239 Base-Backbone interact. energy: -0.002 local terms energy: -24.534742 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: -7290.383 (S_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: 49 Temperature: 0.900000 Total energy: -14606.063092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14606.063092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.785614 (E_RNA) where: Base-Base interactions energy: -70.760 where: short stacking energy: -34.017 Base-Backbone interact. energy: -0.002 local terms energy: -25.023051 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: -14510.277 (S_DIST_RNA) chem. 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: -7638.977155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7638.977155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.273992 (E_RNA) where: Base-Base interactions energy: -60.898 where: short stacking energy: -24.743 Base-Backbone interact. energy: -0.048 local terms energy: -31.328945 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: -7546.703 (S_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: 49 Temperature: 1.000000 Total energy: -7544.826810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7544.826810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.421558 (E_RNA) where: Base-Base interactions energy: -64.981 where: short stacking energy: -22.638 Base-Backbone interact. energy: -0.001 local terms energy: -32.439543 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: -7447.405 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -7633.294681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7633.294681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.057716 (E_RNA) where: Base-Base interactions energy: -66.873 where: short stacking energy: -26.794 Base-Backbone interact. energy: -0.001 local terms energy: -29.183159 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -7.248 Dist. restrs. and SS energy: -7537.237 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -7440.882308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7440.882308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.297841 (E_RNA) where: Base-Base interactions energy: -66.450 where: short stacking energy: -26.423 Base-Backbone interact. energy: 0.432 local terms energy: -15.279264 where: bonds (distance) C4'-P energy: -0.496 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -1.333 flat angles P-C4'-P energy: -0.991 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: -7359.584 (S_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: 49 Temperature: 1.150000 Total energy: -7516.045928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7516.045928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.701602 (E_RNA) where: Base-Base interactions energy: -60.287 where: short stacking energy: -25.729 Base-Backbone interact. energy: -0.000 local terms energy: -35.414296 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: -7420.344 (S_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: 49 Temperature: 1.200000 Total energy: -7495.837735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7495.837735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.701347 (E_RNA) where: Base-Base interactions energy: -63.876 where: short stacking energy: -33.451 Base-Backbone interact. energy: -1.020 local terms energy: -25.805735 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -1.657 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: -7405.136 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -7636.481087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7636.481087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.744932 (E_RNA) where: Base-Base interactions energy: -63.039 where: short stacking energy: -28.786 Base-Backbone interact. energy: -0.839 local terms energy: -29.866936 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -1.701 tors. eta vs tors. theta energy: -7.233 Dist. restrs. and SS energy: -7542.736 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -7562.587355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7562.587355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.690959 (E_RNA) where: Base-Base interactions energy: -58.561 where: short stacking energy: -23.917 Base-Backbone interact. energy: -0.003 local terms energy: -27.127359 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: -7476.896 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -7565.282748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7565.282748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.120793 (E_RNA) where: Base-Base interactions energy: -60.143 where: short stacking energy: -27.716 Base-Backbone interact. energy: -1.086 local terms energy: -28.892399 where: bonds (distance) C4'-P energy: -6.076 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: -7475.162 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -14745.543199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14745.543199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.569795 (E_RNA) where: Base-Base interactions energy: -68.145 where: short stacking energy: -33.183 Base-Backbone interact. energy: -0.000 local terms energy: -35.424646 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -9.514 Dist. restrs. and SS energy: -14641.973 (S_DIST_RNA) chem. 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: -7744.606150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7744.606150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.721720 (E_RNA) where: Base-Base interactions energy: -74.949 where: short stacking energy: -27.774 Base-Backbone interact. energy: -0.026 local terms energy: -27.747104 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.877 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: -7641.884 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -7754.120312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7754.120312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.483870 (E_RNA) where: Base-Base interactions energy: -55.498 where: short stacking energy: -21.547 Base-Backbone interact. energy: -0.727 local terms energy: -29.259100 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: -7668.636 (S_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: 50 Temperature: 1.050000 Total energy: -7654.548086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7654.548086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.829199 (E_RNA) where: Base-Base interactions energy: -58.184 where: short stacking energy: -19.313 Base-Backbone interact. energy: -0.001 local terms energy: -26.643831 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: -7569.719 (S_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: 50 Temperature: 1.100000 Total energy: -7631.554389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7631.554389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.039919 (E_RNA) where: Base-Base interactions energy: -64.391 where: short stacking energy: -33.140 Base-Backbone interact. energy: -0.000 local terms energy: -37.648788 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -9.577 Dist. restrs. and SS energy: -7529.514 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -7612.008685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7612.008685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.935188 (E_RNA) where: Base-Base interactions energy: -69.132 where: short stacking energy: -34.233 Base-Backbone interact. energy: -0.000 local terms energy: -33.803117 where: bonds (distance) C4'-P energy: -4.164 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -9.389 Dist. restrs. and SS energy: -7509.073 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -7777.549215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7777.549215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.170906 (E_RNA) where: Base-Base interactions energy: -67.258 where: short stacking energy: -32.848 Base-Backbone interact. energy: -0.002 local terms energy: -33.910725 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: -7676.378 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -7663.100207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7663.100207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.008090 (E_RNA) where: Base-Base interactions energy: -60.938 where: short stacking energy: -19.471 Base-Backbone interact. energy: -0.004 local terms energy: -24.066520 where: bonds (distance) C4'-P energy: -0.641 bonds (distance) P-C4' energy: -7.269 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: -7578.092 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -7861.965864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7861.965864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.662463 (E_RNA) where: Base-Base interactions energy: -63.943 where: short stacking energy: -26.615 Base-Backbone interact. energy: -0.285 local terms energy: -26.435046 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: -7771.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -7768.259068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7768.259068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.836619 (E_RNA) where: Base-Base interactions energy: -56.263 where: short stacking energy: -19.409 Base-Backbone interact. energy: -0.101 local terms energy: -24.473186 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -1.509 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: -7687.422 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -14838.743797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14838.743797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.292709 (E_RNA) where: Base-Base interactions energy: -70.374 where: short stacking energy: -25.724 Base-Backbone interact. energy: -0.158 local terms energy: -30.760135 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: -14737.451 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -7877.971749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7877.971749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.821041 (E_RNA) where: Base-Base interactions energy: -66.547 where: short stacking energy: -34.493 Base-Backbone interact. energy: -0.710 local terms energy: -29.564320 where: bonds (distance) C4'-P energy: -2.098 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -8.515 Dist. restrs. and SS energy: -7781.151 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -7842.876102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7842.876102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.042734 (E_RNA) where: Base-Base interactions energy: -63.365 where: short stacking energy: -28.883 Base-Backbone interact. energy: -0.037 local terms energy: -36.640482 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: -7742.833 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -7778.768775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7778.768775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.909976 (E_RNA) where: Base-Base interactions energy: -62.137 where: short stacking energy: -30.722 Base-Backbone interact. energy: -0.380 local terms energy: -35.393880 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -8.263 Dist. restrs. and SS energy: -7680.859 (S_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: 51 Temperature: 1.100000 Total energy: -7737.123222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7737.123222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.690701 (E_RNA) where: Base-Base interactions energy: -62.795 where: short stacking energy: -26.505 Base-Backbone interact. energy: -0.028 local terms energy: -30.868611 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: -7643.433 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -7927.116546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7927.116546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.086774 (E_RNA) where: Base-Base interactions energy: -67.671 where: short stacking energy: -34.704 Base-Backbone interact. energy: -0.000 local terms energy: -27.415348 where: bonds (distance) C4'-P energy: -5.514 bonds (distance) P-C4' energy: -4.481 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -1.591 tors. eta vs tors. theta energy: -9.368 Dist. restrs. and SS energy: -7832.030 (S_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: -7749.174496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7749.174496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.872373 (E_RNA) where: Base-Base interactions energy: -58.311 where: short stacking energy: -28.820 Base-Backbone interact. energy: -0.861 local terms energy: -29.701012 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -3.028 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -8.012 Dist. restrs. and SS energy: -7660.302 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -8140.889323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8140.889323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.219166 (E_RNA) where: Base-Base interactions energy: -52.657 where: short stacking energy: -24.239 Base-Backbone interact. energy: 0.048 local terms energy: -18.610310 where: bonds (distance) C4'-P energy: -2.235 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -1.466 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: -8069.670 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -7829.272008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7829.272008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.730239 (E_RNA) where: Base-Base interactions energy: -59.906 where: short stacking energy: -28.603 Base-Backbone interact. energy: -0.001 local terms energy: -30.823348 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -0.699 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: -7738.542 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -7962.979130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7962.979130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.772724 (E_RNA) where: Base-Base interactions energy: -61.510 where: short stacking energy: -30.439 Base-Backbone interact. energy: -0.611 local terms energy: -26.651815 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -1.473 tors. eta vs tors. theta energy: -7.752 Dist. restrs. and SS energy: -7874.206 (S_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: 52 Temperature: 0.900000 Total energy: -14945.328416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14945.328416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.832959 (E_RNA) where: Base-Base interactions energy: -71.267 where: short stacking energy: -34.274 Base-Backbone interact. energy: -0.001 local terms energy: -31.565570 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -7.049 Dist. restrs. and SS energy: -14842.495 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -7976.373473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7976.373473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.990893 (E_RNA) where: Base-Base interactions energy: -67.796 where: short stacking energy: -32.799 Base-Backbone interact. energy: -0.000 local terms energy: -30.194314 where: bonds (distance) C4'-P energy: -3.639 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -8.133 Dist. restrs. and SS energy: -7878.383 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -7953.777537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7953.777537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.493356 (E_RNA) where: Base-Base interactions energy: -64.727 where: short stacking energy: -26.192 Base-Backbone interact. energy: -0.002 local terms energy: -33.765035 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: -7855.284 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -7895.227152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7895.227152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.049840 (E_RNA) where: Base-Base interactions energy: -64.168 where: short stacking energy: -29.432 Base-Backbone interact. energy: -0.001 local terms energy: -34.881508 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -6.627 Dist. restrs. and SS energy: -7796.177 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -8034.358178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8034.358178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.959600 (E_RNA) where: Base-Base interactions energy: -64.824 where: short stacking energy: -36.798 Base-Backbone interact. energy: -0.000 local terms energy: -35.134967 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: -7934.399 (S_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: 52 Temperature: 1.150000 Total energy: -7894.893975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7894.893975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.650971 (E_RNA) where: Base-Base interactions energy: -70.447 where: short stacking energy: -25.009 Base-Backbone interact. energy: -0.055 local terms energy: -26.148526 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: -7798.243 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -8386.166440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8386.166440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.050893 (E_RNA) where: Base-Base interactions energy: -54.587 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.037 local terms energy: -30.426534 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: -8301.116 (S_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: -7904.850678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -7904.850678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.915129 (E_RNA) where: Base-Base interactions energy: -56.759 where: short stacking energy: -15.428 Base-Backbone interact. energy: -0.014 local terms energy: -23.141608 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: -7824.936 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -8114.551891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8114.551891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.090926 (E_RNA) where: Base-Base interactions energy: -69.166 where: short stacking energy: -19.471 Base-Backbone interact. energy: 0.680 local terms energy: -19.605001 where: bonds (distance) C4'-P energy: -0.182 bonds (distance) P-C4' energy: -4.831 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: -8026.461 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -8008.687959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8008.687959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.090218 (E_RNA) where: Base-Base interactions energy: -56.379 where: short stacking energy: -13.151 Base-Backbone interact. energy: -0.002 local terms energy: -21.709868 where: bonds (distance) C4'-P energy: -5.031 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -1.731 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: -7930.598 (S_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: 53 Temperature: 0.900000 Total energy: -15038.496687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15038.496687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.838147 (E_RNA) where: Base-Base interactions energy: -69.112 where: short stacking energy: -27.024 Base-Backbone interact. energy: -0.211 local terms energy: -34.514696 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: -14934.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -8144.716899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8144.716899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.386739 (E_RNA) where: Base-Base interactions energy: -62.470 where: short stacking energy: -26.233 Base-Backbone interact. energy: -0.002 local terms energy: -27.915148 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: 1.243 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: -8054.330 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -8062.322503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8062.322503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.308822 (E_RNA) where: Base-Base interactions energy: -66.677 where: short stacking energy: -32.701 Base-Backbone interact. energy: -0.000 local terms energy: -33.631334 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -8.902 Dist. restrs. and SS energy: -7962.014 (S_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: 53 Temperature: 1.050000 Total energy: -8171.462111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8171.462111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.202253 (E_RNA) where: Base-Base interactions energy: -70.648 where: short stacking energy: -21.636 Base-Backbone interact. energy: -0.000 local terms energy: -27.554268 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -0.537 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: -8073.260 (S_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: 53 Temperature: 1.100000 Total energy: -8027.854213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8027.854213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.065670 (E_RNA) where: Base-Base interactions energy: -59.742 where: short stacking energy: -24.391 Base-Backbone interact. energy: -0.002 local terms energy: -26.321842 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -0.886 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: -7941.789 (S_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: 53 Temperature: 1.150000 Total energy: -8615.655811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8615.655811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.166662 (E_RNA) where: Base-Base interactions energy: -65.313 where: short stacking energy: -33.345 Base-Backbone interact. energy: -0.000 local terms energy: -37.853781 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: -8512.489 (S_DIST_RNA) chem. 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: -8003.245085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8003.245085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.808797 (E_RNA) where: Base-Base interactions energy: -65.451 where: short stacking energy: -28.194 Base-Backbone interact. energy: -0.003 local terms energy: -31.354958 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: -7906.436 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -8288.342522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8288.342522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.567713 (E_RNA) where: Base-Base interactions energy: -63.473 where: short stacking energy: -32.601 Base-Backbone interact. energy: -0.001 local terms energy: -31.093660 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -8.410 Dist. restrs. and SS energy: -8193.775 (S_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: 53 Temperature: 1.300000 Total energy: -8066.328277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8066.328277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.394648 (E_RNA) where: Base-Base interactions energy: -62.291 where: short stacking energy: -30.970 Base-Backbone interact. energy: -0.001 local terms energy: -30.102872 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -5.735 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: -7973.934 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -8206.606412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8206.606412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.889454 (E_RNA) where: Base-Base interactions energy: -53.588 where: short stacking energy: -24.291 Base-Backbone interact. energy: -0.875 local terms energy: -29.426745 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: -8122.717 (S_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: 54 Temperature: 0.900000 Total energy: -15121.657405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15121.657405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.139268 (E_RNA) where: Base-Base interactions energy: -67.234 where: short stacking energy: -27.370 Base-Backbone interact. energy: -0.006 local terms energy: -30.899740 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -5.743 Dist. restrs. and SS energy: -15023.518 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -8246.136707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8246.136707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.739864 (E_RNA) where: Base-Base interactions energy: -69.758 where: short stacking energy: -30.284 Base-Backbone interact. energy: -0.001 local terms energy: -29.981604 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: -8146.397 (S_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: 54 Temperature: 1.000000 Total energy: -8285.306354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8285.306354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.963360 (E_RNA) where: Base-Base interactions energy: -66.654 where: short stacking energy: -27.723 Base-Backbone interact. energy: -0.001 local terms energy: -31.308385 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -8.494 Dist. restrs. and SS energy: -8187.343 (S_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: 54 Temperature: 1.050000 Total energy: -8179.030711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8179.030711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.863518 (E_RNA) where: Base-Base interactions energy: -72.017 where: short stacking energy: -31.607 Base-Backbone interact. energy: -0.001 local terms energy: -29.845818 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -6.700 Dist. restrs. and SS energy: -8077.167 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -8765.559081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8765.559081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.252262 (E_RNA) where: Base-Base interactions energy: -60.592 where: short stacking energy: -33.794 Base-Backbone interact. energy: -0.001 local terms energy: -35.659197 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -7.245 tors. eta vs tors. theta energy: -8.678 Dist. restrs. and SS energy: -8669.307 (S_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: 54 Temperature: 1.150000 Total energy: -8185.195061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8185.195061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.577561 (E_RNA) where: Base-Base interactions energy: -62.744 where: short stacking energy: -25.139 Base-Backbone interact. energy: -0.007 local terms energy: -31.826550 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -6.647 Dist. restrs. and SS energy: -8090.617 (S_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: 54 Temperature: 1.200000 Total energy: -8442.424842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8442.424842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.957835 (E_RNA) where: Base-Base interactions energy: -61.832 where: short stacking energy: -26.509 Base-Backbone interact. energy: 0.179 local terms energy: -22.305239 where: bonds (distance) C4'-P energy: -1.474 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: 0.163 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: -8358.467 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -8140.093267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8140.093267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.041806 (E_RNA) where: Base-Base interactions energy: -65.770 where: short stacking energy: -28.434 Base-Backbone interact. energy: -0.007 local terms energy: -25.265380 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -5.882 Dist. restrs. and SS energy: -8049.051 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -8370.762827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8370.762827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.192322 (E_RNA) where: Base-Base interactions energy: -64.866 where: short stacking energy: -20.799 Base-Backbone interact. energy: -0.008 local terms energy: -22.318484 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -0.759 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -1.284 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: -8283.571 (S_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: 54 Temperature: 1.350000 Total energy: -8251.817223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8251.817223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.762093 (E_RNA) where: Base-Base interactions energy: -58.978 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.026 local terms energy: -25.758857 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: -8167.055 (S_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: 55 Temperature: 0.900000 Total energy: -15214.988739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15214.988739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.770620 (E_RNA) where: Base-Base interactions energy: -57.348 where: short stacking energy: -21.867 Base-Backbone interact. energy: -0.046 local terms energy: -25.376496 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -1.653 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: -15132.218 (S_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: 55 Temperature: 0.950000 Total energy: -8397.144518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8397.144518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.961945 (E_RNA) where: Base-Base interactions energy: -65.003 where: short stacking energy: -34.010 Base-Backbone interact. energy: -0.006 local terms energy: -34.953420 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: -8297.183 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -8377.391973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8377.391973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.545098 (E_RNA) where: Base-Base interactions energy: -63.044 where: short stacking energy: -28.023 Base-Backbone interact. energy: -0.003 local terms energy: -34.497771 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -7.297 Dist. restrs. and SS energy: -8279.847 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -8865.571450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8865.571450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.664574 (E_RNA) where: Base-Base interactions energy: -56.439 where: short stacking energy: -29.619 Base-Backbone interact. energy: -1.866 local terms energy: -31.358979 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -5.424 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -8.718 Dist. restrs. and SS energy: -8775.907 (S_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: 55 Temperature: 1.100000 Total energy: -8284.993447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8284.993447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.485153 (E_RNA) where: Base-Base interactions energy: -69.881 where: short stacking energy: -24.317 Base-Backbone interact. energy: -0.018 local terms energy: -24.585181 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -1.370 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: -8190.508 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -8652.232423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8652.232423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.909864 (E_RNA) where: Base-Base interactions energy: -68.844 where: short stacking energy: -29.453 Base-Backbone interact. energy: -0.027 local terms energy: -31.039745 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -5.322 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: -8552.323 (S_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: 55 Temperature: 1.200000 Total energy: -8301.680826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8301.680826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.544424 (E_RNA) where: Base-Base interactions energy: -61.404 where: short stacking energy: -32.530 Base-Backbone interact. energy: -1.552 local terms energy: -27.588653 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -1.601 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: -8211.136 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -8503.967408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8503.967408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.656472 (E_RNA) where: Base-Base interactions energy: -51.100 where: short stacking energy: -23.870 Base-Backbone interact. energy: -0.001 local terms energy: -26.555534 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -5.746 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -5.993 Dist. restrs. and SS energy: -8426.311 (S_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: 55 Temperature: 1.300000 Total energy: -8283.223383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8283.223383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.882733 (E_RNA) where: Base-Base interactions energy: -61.545 where: short stacking energy: -27.846 Base-Backbone interact. energy: 1.593 local terms energy: -26.931382 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -3.255 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -5.830 Dist. restrs. and SS energy: -8196.341 (S_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: 55 Temperature: 1.350000 Total energy: -8430.105881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8430.105881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.802435 (E_RNA) where: Base-Base interactions energy: -52.827 where: short stacking energy: -22.565 Base-Backbone interact. energy: -0.017 local terms energy: -20.958652 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: -8356.303 (S_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: 56 Temperature: 0.900000 Total energy: -15347.076535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15347.076535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.804077 (E_RNA) where: Base-Base interactions energy: -68.295 where: short stacking energy: -26.765 Base-Backbone interact. energy: -0.038 local terms energy: -31.470779 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: -15247.272 (S_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: 56 Temperature: 0.950000 Total energy: -8514.407930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8514.407930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.577060 (E_RNA) where: Base-Base interactions energy: -65.119 where: short stacking energy: -32.623 Base-Backbone interact. energy: -0.237 local terms energy: -37.220461 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: -8411.831 (S_DIST_RNA) chem. 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: -8964.551536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8964.551536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.809924 (E_RNA) where: Base-Base interactions energy: -59.777 where: short stacking energy: -26.196 Base-Backbone interact. energy: -0.299 local terms energy: -27.733313 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: 0.404 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: -8876.742 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -8511.260606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8511.260606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.079146 (E_RNA) where: Base-Base interactions energy: -57.608 where: short stacking energy: -22.350 Base-Backbone interact. energy: -1.701 local terms energy: -30.770142 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.705 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: -8421.181 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -8775.001135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8775.001135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.775718 (E_RNA) where: Base-Base interactions energy: -57.538 where: short stacking energy: -27.601 Base-Backbone interact. energy: 0.143 local terms energy: -34.380453 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: -8683.225 (S_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: 56 Temperature: 1.150000 Total energy: -8414.243963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8414.243963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.920478 (E_RNA) where: Base-Base interactions energy: -55.434 where: short stacking energy: -26.662 Base-Backbone interact. energy: -0.000 local terms energy: -32.486122 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: -8326.323 (S_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: 56 Temperature: 1.200000 Total energy: -8655.779285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8655.779285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.184920 (E_RNA) where: Base-Base interactions energy: -57.946 where: short stacking energy: -22.610 Base-Backbone interact. energy: -0.058 local terms energy: -32.180901 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: -8565.594 (S_DIST_RNA) chem. 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: -8456.408656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8456.408656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.736296 (E_RNA) where: Base-Base interactions energy: -59.366 where: short stacking energy: -26.139 Base-Backbone interact. energy: -0.006 local terms energy: -26.364652 where: bonds (distance) C4'-P energy: -1.796 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -6.908 Dist. restrs. and SS energy: -8370.672 (S_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: 56 Temperature: 1.300000 Total energy: -8594.935234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8594.935234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.264442 (E_RNA) where: Base-Base interactions energy: -56.403 where: short stacking energy: -25.874 Base-Backbone interact. energy: -0.001 local terms energy: -26.860891 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -5.536 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: -8511.671 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -8431.835518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8431.835518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.071962 (E_RNA) where: Base-Base interactions energy: -57.418 where: short stacking energy: -26.898 Base-Backbone interact. energy: -0.863 local terms energy: -19.790771 where: bonds (distance) C4'-P energy: -2.244 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -1.827 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: -8353.764 (S_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: 57 Temperature: 0.900000 Total energy: -15604.556784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15604.556784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.529422 (E_RNA) where: Base-Base interactions energy: -57.596 where: short stacking energy: -25.524 Base-Backbone interact. energy: -0.080 local terms energy: -28.853142 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: -15518.027 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -9072.102753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9072.102753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.164195 (E_RNA) where: Base-Base interactions energy: -68.207 where: short stacking energy: -34.545 Base-Backbone interact. energy: -0.000 local terms energy: -31.957045 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -5.389 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -8.606 Dist. restrs. and SS energy: -8971.939 (S_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: 57 Temperature: 1.000000 Total energy: -8619.557168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8619.557168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.479525 (E_RNA) where: Base-Base interactions energy: -65.604 where: short stacking energy: -26.185 Base-Backbone interact. energy: -0.001 local terms energy: -28.874656 where: bonds (distance) C4'-P energy: -2.103 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -6.167 Dist. restrs. and SS energy: -8525.078 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -8927.698874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8927.698874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.043487 (E_RNA) where: Base-Base interactions energy: -64.247 where: short stacking energy: -30.100 Base-Backbone interact. energy: -0.000 local terms energy: -36.795835 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -9.925 Dist. restrs. and SS energy: -8826.655 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -8635.702572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8635.702572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.448264 (E_RNA) where: Base-Base interactions energy: -62.793 where: short stacking energy: -29.728 Base-Backbone interact. energy: -0.231 local terms energy: -25.424556 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: -8547.254 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -8810.330360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8810.330360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.472866 (E_RNA) where: Base-Base interactions energy: -59.720 where: short stacking energy: -21.824 Base-Backbone interact. energy: -0.447 local terms energy: -24.305975 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: -8725.857 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -8538.462366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8538.462366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.982749 (E_RNA) where: Base-Base interactions energy: -58.933 where: short stacking energy: -22.397 Base-Backbone interact. energy: -0.004 local terms energy: -22.046122 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: -8457.480 (S_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: 57 Temperature: 1.250000 Total energy: -8747.612648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8747.612648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.764883 (E_RNA) where: Base-Base interactions energy: -67.365 where: short stacking energy: -29.543 Base-Backbone interact. energy: -0.003 local terms energy: -28.397487 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: -8651.848 (S_DIST_RNA) chem. 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: -8722.213256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8722.213256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.579482 (E_RNA) where: Base-Base interactions energy: -60.882 where: short stacking energy: -29.049 Base-Backbone interact. energy: -0.001 local terms energy: -28.696615 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -3.427 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -8.174 Dist. restrs. and SS energy: -8632.634 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -8779.441292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8779.441292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.087678 (E_RNA) where: Base-Base interactions energy: -44.391 where: short stacking energy: -16.818 Base-Backbone interact. energy: -0.790 local terms energy: -20.905971 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -5.241 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: -8713.354 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -16071.443379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16071.443379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.817573 (E_RNA) where: Base-Base interactions energy: -60.513 where: short stacking energy: -22.694 Base-Backbone interact. energy: -0.095 local terms energy: -27.209524 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -4.652 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: -15983.626 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -9167.966982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9167.966982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.295645 (E_RNA) where: Base-Base interactions energy: -58.879 where: short stacking energy: -22.180 Base-Backbone interact. energy: -0.548 local terms energy: -30.869066 where: bonds (distance) C4'-P energy: -6.825 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: -9077.671 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -9049.203796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9049.203796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.873455 (E_RNA) where: Base-Base interactions energy: -67.973 where: short stacking energy: -35.173 Base-Backbone interact. energy: -0.000 local terms energy: -33.900498 where: bonds (distance) C4'-P energy: -7.722 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -8.170 Dist. restrs. and SS energy: -8947.330 (S_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: -8734.502852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8734.502852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.503309 (E_RNA) where: Base-Base interactions energy: -62.560 where: short stacking energy: -31.420 Base-Backbone interact. energy: -1.476 local terms energy: -33.467847 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -9.287 Dist. restrs. and SS energy: -8637.000 (S_DIST_RNA) chem. 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: -8918.806035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8918.806035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.360010 (E_RNA) where: Base-Base interactions energy: -63.839 where: short stacking energy: -24.801 Base-Backbone interact. energy: -0.026 local terms energy: -25.495523 where: bonds (distance) C4'-P energy: -3.411 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: -8829.446 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -8758.367121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8758.367121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.003676 (E_RNA) where: Base-Base interactions energy: -67.682 where: short stacking energy: -33.901 Base-Backbone interact. energy: -0.000 local terms energy: -36.321628 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -8.127 Dist. restrs. and SS energy: -8654.363 (S_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: 58 Temperature: 1.200000 Total energy: -8915.313979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8915.313979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.927273 (E_RNA) where: Base-Base interactions energy: -55.435 where: short stacking energy: -20.826 Base-Backbone interact. energy: -0.306 local terms energy: -29.186176 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: -8830.387 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -8696.910214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8696.910214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.232754 (E_RNA) where: Base-Base interactions energy: -60.409 where: short stacking energy: -27.279 Base-Backbone interact. energy: -0.001 local terms energy: -30.822609 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: -8605.677 (S_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: 58 Temperature: 1.300000 Total energy: -9024.355108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9024.355108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.735596 (E_RNA) where: Base-Base interactions energy: -62.362 where: short stacking energy: -26.187 Base-Backbone interact. energy: -0.005 local terms energy: -26.369407 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: -8935.620 (S_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: -8890.261805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8890.261805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.146038 (E_RNA) where: Base-Base interactions energy: -63.251 where: short stacking energy: -32.162 Base-Backbone interact. energy: -0.000 local terms energy: -23.894742 where: bonds (distance) C4'-P energy: 0.426 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -1.290 tors. eta vs tors. theta energy: -7.476 Dist. restrs. and SS energy: -8803.116 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -16484.987776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16484.987776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.517595 (E_RNA) where: Base-Base interactions energy: -67.866 where: short stacking energy: -25.345 Base-Backbone interact. energy: -0.082 local terms energy: -28.569431 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -0.564 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: -16388.470 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -9253.233772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9253.233772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.235355 (E_RNA) where: Base-Base interactions energy: -68.982 where: short stacking energy: -26.501 Base-Backbone interact. energy: -0.365 local terms energy: -31.888332 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: -9151.998 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -9148.368684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9148.368684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.920318 (E_RNA) where: Base-Base interactions energy: -64.903 where: short stacking energy: -23.442 Base-Backbone interact. energy: -0.007 local terms energy: -33.010822 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: -9050.448 (S_DIST_RNA) chem. 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: -9083.745646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9083.745646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.993880 (E_RNA) where: Base-Base interactions energy: -67.755 where: short stacking energy: -24.880 Base-Backbone interact. energy: -0.015 local terms energy: -27.223823 where: bonds (distance) C4'-P energy: -3.838 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: -8988.752 (S_DIST_RNA) chem. 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: -8840.109446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8840.109446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.479573 (E_RNA) where: Base-Base interactions energy: -62.520 where: short stacking energy: -23.283 Base-Backbone interact. energy: -0.003 local terms energy: -22.956669 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: -8754.630 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -9101.254860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9101.254860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.889485 (E_RNA) where: Base-Base interactions energy: -68.753 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.006 local terms energy: -26.130248 where: bonds (distance) C4'-P energy: -3.461 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.404 tors. eta vs tors. theta energy: -5.881 Dist. restrs. and SS energy: -9006.365 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -8898.906084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8898.906084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.756304 (E_RNA) where: Base-Base interactions energy: -61.616 where: short stacking energy: -31.865 Base-Backbone interact. energy: -0.000 local terms energy: -31.140466 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: 0.142 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: -8806.150 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -9188.785513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9188.785513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.420000 (E_RNA) where: Base-Base interactions energy: -50.280 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.035 local terms energy: -25.105140 where: bonds (distance) C4'-P energy: -5.630 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -1.147 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: -9113.366 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -8868.863241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8868.863241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.328523 (E_RNA) where: Base-Base interactions energy: -61.329 where: short stacking energy: -24.274 Base-Backbone interact. energy: 0.138 local terms energy: -21.137281 where: bonds (distance) C4'-P energy: -2.595 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -1.384 flat angles P-C4'-P energy: -0.479 tors. eta vs tors. theta energy: -8.247 Dist. restrs. and SS energy: -8786.535 (S_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: -9134.947758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9134.947758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.781970 (E_RNA) where: Base-Base interactions energy: -57.196 where: short stacking energy: -27.277 Base-Backbone interact. energy: -1.847 local terms energy: -31.738398 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: -9044.166 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -16959.082157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16959.082157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.535109 (E_RNA) where: Base-Base interactions energy: -66.684 where: short stacking energy: -25.642 Base-Backbone interact. energy: -0.354 local terms energy: -23.496443 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -0.839 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: -16868.547 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -9353.183502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9353.183502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.134206 (E_RNA) where: Base-Base interactions energy: -65.457 where: short stacking energy: -23.389 Base-Backbone interact. energy: -0.145 local terms energy: -34.531567 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: -9253.049 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -9210.643835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9210.643835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.947468 (E_RNA) where: Base-Base interactions energy: -67.394 where: short stacking energy: -25.496 Base-Backbone interact. energy: -0.050 local terms energy: -31.503995 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: -9111.696 (S_DIST_RNA) chem. 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: -9242.410081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9242.410081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.360841 (E_RNA) where: Base-Base interactions energy: -60.808 where: short stacking energy: -24.597 Base-Backbone interact. energy: -0.052 local terms energy: -32.501466 where: bonds (distance) C4'-P energy: -8.458 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: -9149.049 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -9236.496642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9236.496642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.451140 (E_RNA) where: Base-Base interactions energy: -61.897 where: short stacking energy: -20.375 Base-Backbone interact. energy: -0.013 local terms energy: -26.540843 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: -9148.046 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -8991.792579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -8991.792579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.842586 (E_RNA) where: Base-Base interactions energy: -62.230 where: short stacking energy: -23.548 Base-Backbone interact. energy: -1.036 local terms energy: -32.577119 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -8.079 Dist. restrs. and SS energy: -8895.950 (S_DIST_RNA) chem. 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: -9382.594177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9382.594177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.075024 (E_RNA) where: Base-Base interactions energy: -64.822 where: short stacking energy: -33.591 Base-Backbone interact. energy: -1.626 local terms energy: -32.627529 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -9.410 flat angles P-C4'-P energy: -1.656 tors. eta vs tors. theta energy: -7.783 Dist. restrs. and SS energy: -9283.519 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -9049.554935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9049.554935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.789208 (E_RNA) where: Base-Base interactions energy: -61.206 where: short stacking energy: -35.340 Base-Backbone interact. energy: -0.001 local terms energy: -33.581823 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -9.403 Dist. restrs. and SS energy: -8954.766 (S_DIST_RNA) chem. 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: -9305.234514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9305.234514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.397561 (E_RNA) where: Base-Base interactions energy: -64.233 where: short stacking energy: -26.439 Base-Backbone interact. energy: -0.013 local terms energy: -29.151515 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: -9211.837 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -9077.655770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9077.655770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.323100 (E_RNA) where: Base-Base interactions energy: -70.022 where: short stacking energy: -23.178 Base-Backbone interact. energy: -0.784 local terms energy: -22.517448 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: -8984.333 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -17459.856221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17459.856221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.717826 (E_RNA) where: Base-Base interactions energy: -71.899 where: short stacking energy: -26.092 Base-Backbone interact. energy: -0.050 local terms energy: -31.768858 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: -17356.138 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -9444.910434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9444.910434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.304290 (E_RNA) where: Base-Base interactions energy: -67.397 where: short stacking energy: -29.494 Base-Backbone interact. energy: -0.002 local terms energy: -31.904854 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -1.633 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: -9345.606 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -9310.013266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9310.013266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.969629 (E_RNA) where: Base-Base interactions energy: -63.548 where: short stacking energy: -31.621 Base-Backbone interact. energy: -0.051 local terms energy: -25.370947 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -3.558 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -2.049 tors. eta vs tors. theta energy: -7.335 Dist. restrs. and SS energy: -9221.044 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -9348.320982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9348.320982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.007621 (E_RNA) where: Base-Base interactions energy: -69.731 where: short stacking energy: -20.705 Base-Backbone interact. energy: -0.005 local terms energy: -29.272036 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -1.997 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: -9249.313 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -9369.404532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9369.404532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.283064 (E_RNA) where: Base-Base interactions energy: -68.588 where: short stacking energy: -31.427 Base-Backbone interact. energy: -0.437 local terms energy: -33.258252 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: -9267.121 (S_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: 61 Temperature: 1.150000 Total energy: -9494.977261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9494.977261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.768671 (E_RNA) where: Base-Base interactions energy: -68.055 where: short stacking energy: -30.967 Base-Backbone interact. energy: -0.001 local terms energy: -27.712390 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -0.660 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: -9399.209 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -9117.633306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9117.633306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.241493 (E_RNA) where: Base-Base interactions energy: -64.090 where: short stacking energy: -23.618 Base-Backbone interact. energy: -0.011 local terms energy: -32.140741 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: -9021.392 (S_DIST_RNA) chem. 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: -9469.328993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9469.328993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.775781 (E_RNA) where: Base-Base interactions energy: -61.065 where: short stacking energy: -22.155 Base-Backbone interact. energy: -0.001 local terms energy: -31.709943 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: -9376.553 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -9212.826274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9212.826274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.887309 (E_RNA) where: Base-Base interactions energy: -56.273 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.003 local terms energy: -30.611469 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: -9125.939 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -9234.976671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9234.976671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.104156 (E_RNA) where: Base-Base interactions energy: -68.431 where: short stacking energy: -25.081 Base-Backbone interact. energy: 2.387 local terms energy: -23.060985 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: -9145.873 (S_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: 62 Temperature: 0.900000 Total energy: -17770.355385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17770.355385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.435954 (E_RNA) where: Base-Base interactions energy: -64.119 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.245 local terms energy: -30.072005 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -5.060 Dist. restrs. and SS energy: -17675.919 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -9539.554502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9539.554502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.791122 (E_RNA) where: Base-Base interactions energy: -69.637 where: short stacking energy: -29.118 Base-Backbone interact. energy: -0.001 local terms energy: -32.153104 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -8.145 Dist. restrs. and SS energy: -9437.763 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -9425.497404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9425.497404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.035778 (E_RNA) where: Base-Base interactions energy: -64.075 where: short stacking energy: -21.378 Base-Backbone interact. energy: 0.084 local terms energy: -29.044519 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: -9332.462 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -9438.840641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9438.840641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.321285 (E_RNA) where: Base-Base interactions energy: -72.502 where: short stacking energy: -28.556 Base-Backbone interact. energy: -1.105 local terms energy: -28.715045 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: -9336.519 (S_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: 62 Temperature: 1.100000 Total energy: -9619.395774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9619.395774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.876533 (E_RNA) where: Base-Base interactions energy: -68.321 where: short stacking energy: -24.293 Base-Backbone interact. energy: -0.009 local terms energy: -28.546543 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -1.440 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: -9522.519 (S_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: 62 Temperature: 1.150000 Total energy: -9494.464640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9494.464640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.383513 (E_RNA) where: Base-Base interactions energy: -66.897 where: short stacking energy: -28.472 Base-Backbone interact. energy: -1.721 local terms energy: -27.765207 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -4.350 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: -9398.081 (S_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: 62 Temperature: 1.200000 Total energy: -9615.996192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9615.996192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.693570 (E_RNA) where: Base-Base interactions energy: -53.777 where: short stacking energy: -22.691 Base-Backbone interact. energy: -0.433 local terms energy: -24.483334 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -2.283 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: -9537.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -9225.383467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9225.383467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.644473 (E_RNA) where: Base-Base interactions energy: -67.383 where: short stacking energy: -33.174 Base-Backbone interact. energy: -0.000 local terms energy: -28.260646 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -1.635 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: -9129.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -9362.022667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9362.022667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.424194 (E_RNA) where: Base-Base interactions energy: -67.173 where: short stacking energy: -21.364 Base-Backbone interact. energy: 1.567 local terms energy: -29.817734 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: -9266.598 (S_DIST_RNA) chem. 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: -9410.142422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9410.142422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.482670 (E_RNA) where: Base-Base interactions energy: -55.472 where: short stacking energy: -22.160 Base-Backbone interact. energy: -0.000 local terms energy: -31.010639 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: -9323.660 (S_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: 63 Temperature: 0.900000 Total energy: -17869.332690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17869.332690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.547161 (E_RNA) where: Base-Base interactions energy: -60.829 where: short stacking energy: -19.627 Base-Backbone interact. energy: -0.100 local terms energy: -29.617501 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: -17778.786 (S_DIST_RNA) chem. 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: -9649.313972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9649.313972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.932181 (E_RNA) where: Base-Base interactions energy: -68.493 where: short stacking energy: -37.093 Base-Backbone interact. energy: -1.417 local terms energy: -32.021535 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -7.356 Dist. restrs. and SS energy: -9547.382 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -9564.576083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9564.576083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.389722 (E_RNA) where: Base-Base interactions energy: -70.108 where: short stacking energy: -22.013 Base-Backbone interact. energy: -0.706 local terms energy: -26.575401 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: -9467.186 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -9745.437023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9745.437023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.809238 (E_RNA) where: Base-Base interactions energy: -72.500 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.004 local terms energy: -23.305727 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: 2.772 tors. eta vs tors. theta energy: -6.102 Dist. restrs. and SS energy: -9649.628 (S_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: 63 Temperature: 1.100000 Total energy: -9535.033620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9535.033620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.508226 (E_RNA) where: Base-Base interactions energy: -68.497 where: short stacking energy: -30.564 Base-Backbone interact. energy: -0.001 local terms energy: -31.009650 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: -9435.525 (S_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: 63 Temperature: 1.150000 Total energy: -9757.938956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9757.938956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.367898 (E_RNA) where: Base-Base interactions energy: -69.718 where: short stacking energy: -31.006 Base-Backbone interact. energy: -0.006 local terms energy: -26.644157 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: -9661.571 (S_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: 63 Temperature: 1.200000 Total energy: -9620.203838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9620.203838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.559532 (E_RNA) where: Base-Base interactions energy: -63.056 where: short stacking energy: -29.423 Base-Backbone interact. energy: 0.505 local terms energy: -33.007986 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -9.288 Dist. restrs. and SS energy: -9524.644 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -9530.202914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9530.202914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.353923 (E_RNA) where: Base-Base interactions energy: -69.094 where: short stacking energy: -35.754 Base-Backbone interact. energy: -0.006 local terms energy: -27.254227 where: bonds (distance) C4'-P energy: -4.056 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -8.253 Dist. restrs. and SS energy: -9433.849 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -9410.686422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9410.686422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.822336 (E_RNA) where: Base-Base interactions energy: -63.725 where: short stacking energy: -16.506 Base-Backbone interact. energy: -0.515 local terms energy: -27.581837 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -5.042 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: -9318.864 (S_DIST_RNA) chem. 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: -9606.204417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9606.204417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.280253 (E_RNA) where: Base-Base interactions energy: -51.726 where: short stacking energy: -15.201 Base-Backbone interact. energy: -0.097 local terms energy: -25.457089 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: -9528.924 (S_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: 64 Temperature: 0.900000 Total energy: -18013.267981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18013.267981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.530069 (E_RNA) where: Base-Base interactions energy: -66.055 where: short stacking energy: -26.655 Base-Backbone interact. energy: -0.175 local terms energy: -27.299740 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: -17919.738 (S_DIST_RNA) chem. 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: -9761.912067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9761.912067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.766733 (E_RNA) where: Base-Base interactions energy: -70.092 where: short stacking energy: -35.631 Base-Backbone interact. energy: -0.000 local terms energy: -34.674616 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: -9657.145 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -9831.569163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9831.569163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.016882 (E_RNA) where: Base-Base interactions energy: -61.688 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.015 local terms energy: -26.313887 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: -9743.552 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -9887.929148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9887.929148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.247999 (E_RNA) where: Base-Base interactions energy: -53.261 where: short stacking energy: -24.753 Base-Backbone interact. energy: -0.046 local terms energy: -24.940807 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: -9809.681 (S_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: 64 Temperature: 1.100000 Total energy: -9866.347959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9866.347959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.552761 (E_RNA) where: Base-Base interactions energy: -61.207 where: short stacking energy: -30.013 Base-Backbone interact. energy: -0.004 local terms energy: -32.342293 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: -9772.795 (S_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: 64 Temperature: 1.150000 Total energy: -9684.477097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9684.477097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.422192 (E_RNA) where: Base-Base interactions energy: -60.950 where: short stacking energy: -29.566 Base-Backbone interact. energy: 0.348 local terms energy: -29.820094 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.374 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: -9594.055 (S_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: 64 Temperature: 1.200000 Total energy: -9770.884122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9770.884122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.121072 (E_RNA) where: Base-Base interactions energy: -62.913 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.003 local terms energy: -28.205093 where: bonds (distance) C4'-P energy: -3.913 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: -9679.763 (S_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: 64 Temperature: 1.250000 Total energy: -9674.552706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9674.552706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.563299 (E_RNA) where: Base-Base interactions energy: -63.100 where: short stacking energy: -20.772 Base-Backbone interact. energy: -0.016 local terms energy: -28.446947 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -6.796 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: -9582.989 (S_DIST_RNA) chem. 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: -10093.300862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10093.300862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.867483 (E_RNA) where: Base-Base interactions energy: -56.972 where: short stacking energy: -22.492 Base-Backbone interact. energy: -0.016 local terms energy: -21.879641 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -2.235 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: -10014.433 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -9566.778299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9566.778299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.782016 (E_RNA) where: Base-Base interactions energy: -55.406 where: short stacking energy: -19.105 Base-Backbone interact. energy: -0.000 local terms energy: -34.375311 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: -9476.996 (S_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: 65 Temperature: 0.900000 Total energy: -18131.857462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18131.857462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.923659 (E_RNA) where: Base-Base interactions energy: -63.253 where: short stacking energy: -23.505 Base-Backbone interact. energy: -0.012 local terms energy: -32.659129 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -6.041 Dist. restrs. and SS energy: -18035.934 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -9925.653892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9925.653892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.186705 (E_RNA) where: Base-Base interactions energy: -68.310 where: short stacking energy: -26.841 Base-Backbone interact. energy: -0.017 local terms energy: -30.860401 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: -9826.467 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -9871.829074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9871.829074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.038197 (E_RNA) where: Base-Base interactions energy: -63.965 where: short stacking energy: -31.484 Base-Backbone interact. energy: -0.002 local terms energy: -36.071049 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: -9771.791 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -10054.214661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10054.214661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.223615 (E_RNA) where: Base-Base interactions energy: -67.440 where: short stacking energy: -25.895 Base-Backbone interact. energy: -0.052 local terms energy: -27.731341 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -0.561 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: -9958.991 (S_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: 65 Temperature: 1.100000 Total energy: -9999.870582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9999.870582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.093834 (E_RNA) where: Base-Base interactions energy: -69.395 where: short stacking energy: -25.690 Base-Backbone interact. energy: -0.490 local terms energy: -29.209468 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: -9900.777 (S_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: 65 Temperature: 1.150000 Total energy: -9905.452233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9905.452233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.869861 (E_RNA) where: Base-Base interactions energy: -67.939 where: short stacking energy: -32.492 Base-Backbone interact. energy: -0.000 local terms energy: -29.930845 where: bonds (distance) C4'-P energy: -4.368 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -6.521 Dist. restrs. and SS energy: -9807.582 (S_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: 65 Temperature: 1.200000 Total energy: -9859.237719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9859.237719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.605401 (E_RNA) where: Base-Base interactions energy: -68.392 where: short stacking energy: -37.263 Base-Backbone interact. energy: -0.000 local terms energy: -32.213368 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -9.870 Dist. restrs. and SS energy: -9758.632 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -10298.455225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10298.455225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.236955 (E_RNA) where: Base-Base interactions energy: -57.311 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.055 local terms energy: -30.871231 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.090 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: -10210.218 (S_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: 65 Temperature: 1.300000 Total energy: -9822.942462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9822.942462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.070958 (E_RNA) where: Base-Base interactions energy: -58.625 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.001 local terms energy: -28.445113 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -0.590 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -7.334 Dist. restrs. and SS energy: -9735.872 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -9746.419856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9746.419856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.680911 (E_RNA) where: Base-Base interactions energy: -58.401 where: short stacking energy: -23.494 Base-Backbone interact. energy: -0.008 local terms energy: -28.271820 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -0.907 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: -9659.739 (S_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: 66 Temperature: 0.900000 Total energy: -18225.329290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18225.329290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.214363 (E_RNA) where: Base-Base interactions energy: -67.207 where: short stacking energy: -30.282 Base-Backbone interact. energy: 0.671 local terms energy: -29.678735 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -8.370 Dist. restrs. and SS energy: -18129.115 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -10030.752810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10030.752810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.512318 (E_RNA) where: Base-Base interactions energy: -63.602 where: short stacking energy: -27.506 Base-Backbone interact. energy: -0.233 local terms energy: -33.677415 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: -9933.240 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -10196.629402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10196.629402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.336805 (E_RNA) where: Base-Base interactions energy: -71.970 where: short stacking energy: -26.160 Base-Backbone interact. energy: -1.313 local terms energy: -28.053620 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: 0.586 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: -10095.293 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -9987.865101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9987.865101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.493758 (E_RNA) where: Base-Base interactions energy: -74.029 where: short stacking energy: -26.005 Base-Backbone interact. energy: -0.368 local terms energy: -28.096899 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.785 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: -9885.371 (S_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: 66 Temperature: 1.100000 Total energy: -10089.911426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10089.911426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.880532 (E_RNA) where: Base-Base interactions energy: -55.511 where: short stacking energy: -27.989 Base-Backbone interact. energy: -1.054 local terms energy: -36.316035 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -7.558 Dist. restrs. and SS energy: -9997.031 (S_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: 66 Temperature: 1.150000 Total energy: -10029.395107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10029.395107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.133559 (E_RNA) where: Base-Base interactions energy: -65.158 where: short stacking energy: -30.150 Base-Backbone interact. energy: -1.054 local terms energy: -28.920821 where: bonds (distance) C4'-P energy: -7.355 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: -9934.262 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -10482.025916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10482.025916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.904914 (E_RNA) where: Base-Base interactions energy: -53.404 where: short stacking energy: -15.316 Base-Backbone interact. energy: -0.004 local terms energy: -26.496467 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: -10402.121 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -10014.682554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10014.682554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.025234 (E_RNA) where: Base-Base interactions energy: -61.360 where: short stacking energy: -27.805 Base-Backbone interact. energy: -0.731 local terms energy: -28.934457 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -4.167 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: -9923.657 (S_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: 66 Temperature: 1.300000 Total energy: -9958.113030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9958.113030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.574840 (E_RNA) where: Base-Base interactions energy: -65.596 where: short stacking energy: -21.670 Base-Backbone interact. energy: -0.001 local terms energy: -23.977083 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.043 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -3.790 Dist. restrs. and SS energy: -9868.538 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -9882.019722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -9882.019722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.460922 (E_RNA) where: Base-Base interactions energy: -48.347 where: short stacking energy: -17.082 Base-Backbone interact. energy: -0.005 local terms energy: -30.109148 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -5.951 Dist. restrs. and SS energy: -9803.559 (S_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: 67 Temperature: 0.900000 Total energy: -18317.460211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18317.460211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.030328 (E_RNA) where: Base-Base interactions energy: -66.156 where: short stacking energy: -26.873 Base-Backbone interact. energy: -0.003 local terms energy: -36.871629 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: -18214.430 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -10302.638181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10302.638181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.976028 (E_RNA) where: Base-Base interactions energy: -61.498 where: short stacking energy: -26.169 Base-Backbone interact. energy: -0.474 local terms energy: -34.003949 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: -10206.662 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -10134.558338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10134.558338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.429591 (E_RNA) where: Base-Base interactions energy: -62.784 where: short stacking energy: -30.988 Base-Backbone interact. energy: -0.109 local terms energy: -30.536231 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.168 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -1.502 tors. eta vs tors. theta energy: -8.488 Dist. restrs. and SS energy: -10041.129 (S_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: 67 Temperature: 1.050000 Total energy: -10220.271670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10220.271670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.844716 (E_RNA) where: Base-Base interactions energy: -67.042 where: short stacking energy: -30.797 Base-Backbone interact. energy: -0.140 local terms energy: -27.662995 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -1.559 tors. eta vs tors. theta energy: -7.996 Dist. restrs. and SS energy: -10125.427 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -10117.304629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10117.304629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.816460 (E_RNA) where: Base-Base interactions energy: -59.856 where: short stacking energy: -24.612 Base-Backbone interact. energy: -1.546 local terms energy: -32.414641 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: -10023.488 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -10650.461382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10650.461382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.139778 (E_RNA) where: Base-Base interactions energy: -67.138 where: short stacking energy: -21.943 Base-Backbone interact. energy: -0.014 local terms energy: -26.988100 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: -10556.322 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -10190.317707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10190.317707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.196097 (E_RNA) where: Base-Base interactions energy: -58.285 where: short stacking energy: -20.723 Base-Backbone interact. energy: -0.009 local terms energy: -32.901597 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: -10099.122 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -10166.572593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10166.572593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.243240 (E_RNA) where: Base-Base interactions energy: -62.005 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.010 local terms energy: -30.228293 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: -10074.329 (S_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: 67 Temperature: 1.300000 Total energy: -10173.019907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10173.019907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.899846 (E_RNA) where: Base-Base interactions energy: -60.969 where: short stacking energy: -21.443 Base-Backbone interact. energy: -0.000 local terms energy: -27.930400 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -0.316 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: -10084.120 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -10076.040105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10076.040105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.285520 (E_RNA) where: Base-Base interactions energy: -62.851 where: short stacking energy: -20.019 Base-Backbone interact. energy: -0.003 local terms energy: -31.431020 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: -9981.755 (S_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: 68 Temperature: 0.900000 Total energy: -18398.724777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18398.724777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.723816 (E_RNA) where: Base-Base interactions energy: -71.448 where: short stacking energy: -29.278 Base-Backbone interact. energy: -0.000 local terms energy: -34.275416 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: -18293.001 (S_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: 68 Temperature: 0.950000 Total energy: -10404.373765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10404.373765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.010825 (E_RNA) where: Base-Base interactions energy: -68.259 where: short stacking energy: -34.295 Base-Backbone interact. energy: -0.001 local terms energy: -30.751130 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -1.491 tors. eta vs tors. theta energy: -9.276 Dist. restrs. and SS energy: -10305.363 (S_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: 68 Temperature: 1.000000 Total energy: -10362.649866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10362.649866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.962520 (E_RNA) where: Base-Base interactions energy: -63.266 where: short stacking energy: -30.240 Base-Backbone interact. energy: -2.770 local terms energy: -36.926497 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: -10259.687 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -10274.169271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10274.169271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.633213 (E_RNA) where: Base-Base interactions energy: -68.369 where: short stacking energy: -29.739 Base-Backbone interact. energy: 0.304 local terms energy: -29.567708 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: -10176.536 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -10771.836984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10771.836984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.507185 (E_RNA) where: Base-Base interactions energy: -64.735 where: short stacking energy: -28.073 Base-Backbone interact. energy: -0.012 local terms energy: -30.760108 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -7.150 Dist. restrs. and SS energy: -10676.330 (S_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: 68 Temperature: 1.150000 Total energy: -10239.510998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10239.510998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.418324 (E_RNA) where: Base-Base interactions energy: -61.244 where: short stacking energy: -26.414 Base-Backbone interact. energy: -1.019 local terms energy: -31.155350 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: -10146.093 (S_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: 68 Temperature: 1.200000 Total energy: -10347.609837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10347.609837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.874682 (E_RNA) where: Base-Base interactions energy: -60.142 where: short stacking energy: -21.415 Base-Backbone interact. energy: -0.040 local terms energy: -28.693338 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: -10258.735 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -10344.496252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10344.496252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.233822 (E_RNA) where: Base-Base interactions energy: -65.678 where: short stacking energy: -36.471 Base-Backbone interact. energy: -0.851 local terms energy: -32.704568 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -0.879 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: -10245.262 (S_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: 68 Temperature: 1.300000 Total energy: -10356.534293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10356.534293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.005452 (E_RNA) where: Base-Base interactions energy: -61.064 where: short stacking energy: -29.062 Base-Backbone interact. energy: -0.041 local terms energy: -27.900358 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -2.054 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: -10267.529 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -10213.525461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10213.525461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.420316 (E_RNA) where: Base-Base interactions energy: -60.358 where: short stacking energy: -21.176 Base-Backbone interact. energy: -0.000 local terms energy: -34.062015 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -6.981 flat angles C4'-P-C4' energy: -8.817 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -7.360 Dist. restrs. and SS energy: -10119.105 (S_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: 69 Temperature: 0.900000 Total energy: -18492.074061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18492.074061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.573487 (E_RNA) where: Base-Base interactions energy: -70.338 where: short stacking energy: -36.837 Base-Backbone interact. energy: -0.000 local terms energy: -36.235109 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.190 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -8.594 Dist. restrs. and SS energy: -18385.501 (S_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: 69 Temperature: 0.950000 Total energy: -10499.762868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10499.762868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.645096 (E_RNA) where: Base-Base interactions energy: -70.561 where: short stacking energy: -35.900 Base-Backbone interact. energy: -0.001 local terms energy: -30.083010 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -1.690 tors. eta vs tors. theta energy: -7.268 Dist. restrs. and SS energy: -10399.118 (S_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: 69 Temperature: 1.000000 Total energy: -10478.630658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10478.630658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.525740 (E_RNA) where: Base-Base interactions energy: -67.009 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.002 local terms energy: -34.514736 where: bonds (distance) C4'-P energy: -5.808 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: -10377.105 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -10878.547328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10878.547328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.864970 (E_RNA) where: Base-Base interactions energy: -65.313 where: short stacking energy: -27.953 Base-Backbone interact. energy: -0.006 local terms energy: -29.545681 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -1.846 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: -10783.682 (S_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: 69 Temperature: 1.100000 Total energy: -10406.991152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10406.991152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.225135 (E_RNA) where: Base-Base interactions energy: -66.077 where: short stacking energy: -35.904 Base-Backbone interact. energy: -0.001 local terms energy: -36.146714 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.868 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -9.114 Dist. restrs. and SS energy: -10304.766 (S_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: 69 Temperature: 1.150000 Total energy: -10473.569511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10473.569511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.114885 (E_RNA) where: Base-Base interactions energy: -58.281 where: short stacking energy: -26.590 Base-Backbone interact. energy: -0.000 local terms energy: -32.833541 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: -10382.455 (S_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: 69 Temperature: 1.200000 Total energy: -10386.261808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10386.261808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.422512 (E_RNA) where: Base-Base interactions energy: -51.755 where: short stacking energy: -20.327 Base-Backbone interact. energy: -0.005 local terms energy: -30.662252 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: -10303.839 (S_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: 69 Temperature: 1.250000 Total energy: -10525.761896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10525.761896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.437310 (E_RNA) where: Base-Base interactions energy: -50.433 where: short stacking energy: -19.935 Base-Backbone interact. energy: -0.088 local terms energy: -26.916647 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -4.303 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: -10448.325 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -10486.850304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10486.850304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.877645 (E_RNA) where: Base-Base interactions energy: -67.823 where: short stacking energy: -24.847 Base-Backbone interact. energy: -0.010 local terms energy: -22.044549 where: bonds (distance) C4'-P energy: -4.798 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -1.165 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: -10396.973 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -10429.664257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10429.664257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.289533 (E_RNA) where: Base-Base interactions energy: -66.752 where: short stacking energy: -22.554 Base-Backbone interact. energy: -0.024 local terms energy: -21.513540 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -0.131 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: -10341.375 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -18587.530959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18587.530959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.819175 (E_RNA) where: Base-Base interactions energy: -70.313 where: short stacking energy: -32.984 Base-Backbone interact. energy: -0.000 local terms energy: -35.506334 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: -18481.712 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -10616.911514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10616.911514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.029800 (E_RNA) where: Base-Base interactions energy: -66.489 where: short stacking energy: -36.596 Base-Backbone interact. energy: -0.156 local terms energy: -35.384324 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: -10514.882 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -10993.023968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10993.023968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.770331 (E_RNA) where: Base-Base interactions energy: -58.499 where: short stacking energy: -24.666 Base-Backbone interact. energy: -0.001 local terms energy: -27.270597 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -2.021 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: -10907.254 (S_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: 70 Temperature: 1.050000 Total energy: -10583.550229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10583.550229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.296669 (E_RNA) where: Base-Base interactions energy: -60.791 where: short stacking energy: -27.831 Base-Backbone interact. energy: -0.004 local terms energy: -36.500735 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: -10486.254 (S_DIST_RNA) chem. 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: -10599.113734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10599.113734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.663819 (E_RNA) where: Base-Base interactions energy: -62.647 where: short stacking energy: -23.286 Base-Backbone interact. energy: -0.044 local terms energy: -27.972684 where: bonds (distance) C4'-P energy: -4.707 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: -10508.450 (S_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: -10565.900689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10565.900689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.379125 (E_RNA) where: Base-Base interactions energy: -61.339 where: short stacking energy: -28.719 Base-Backbone interact. energy: -0.000 local terms energy: -30.039561 where: bonds (distance) C4'-P energy: -2.666 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: -10474.522 (S_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: 70 Temperature: 1.200000 Total energy: -10734.422764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10734.422764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.421228 (E_RNA) where: Base-Base interactions energy: -63.462 where: short stacking energy: -26.665 Base-Backbone interact. energy: 0.010 local terms energy: -18.970030 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: -10652.002 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -10599.168068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10599.168068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.602679 (E_RNA) where: Base-Base interactions energy: -60.913 where: short stacking energy: -28.998 Base-Backbone interact. energy: -1.040 local terms energy: -28.649639 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.725 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: -10508.565 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -10599.905049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10599.905049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.587163 (E_RNA) where: Base-Base interactions energy: -61.964 where: short stacking energy: -27.801 Base-Backbone interact. energy: -0.000 local terms energy: -26.622721 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -0.203 tors. eta vs tors. theta energy: -7.184 Dist. restrs. and SS energy: -10511.318 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -10678.272169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10678.272169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.447055 (E_RNA) where: Base-Base interactions energy: -54.475 where: short stacking energy: -24.887 Base-Backbone interact. energy: -0.012 local terms energy: -32.960292 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: -10590.825 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -18672.971965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18672.971965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.802376 (E_RNA) where: Base-Base interactions energy: -68.962 where: short stacking energy: -28.427 Base-Backbone interact. energy: -0.685 local terms energy: -34.155758 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -1.961 tors. eta vs tors. theta energy: -8.101 Dist. restrs. and SS energy: -18569.170 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -11088.919023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11088.919023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.469859 (E_RNA) where: Base-Base interactions energy: -67.716 where: short stacking energy: -25.960 Base-Backbone interact. energy: -0.002 local terms energy: -33.751364 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.030 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -6.036 Dist. restrs. and SS energy: -10987.449 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -10720.408693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10720.408693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.348702 (E_RNA) where: Base-Base interactions energy: -66.925 where: short stacking energy: -33.789 Base-Backbone interact. energy: -0.000 local terms energy: -30.423465 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: -10623.060 (S_DIST_RNA) chem. 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: -10728.496205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10728.496205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.221282 (E_RNA) where: Base-Base interactions energy: -68.188 where: short stacking energy: -27.731 Base-Backbone interact. energy: -0.001 local terms energy: -30.032589 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -8.256 Dist. restrs. and SS energy: -10630.275 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -10692.674199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10692.674199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.062778 (E_RNA) where: Base-Base interactions energy: -64.342 where: short stacking energy: -30.245 Base-Backbone interact. energy: -0.000 local terms energy: -32.720877 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: -10595.611 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -10986.243417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10986.243417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.098849 (E_RNA) where: Base-Base interactions energy: -61.501 where: short stacking energy: -27.744 Base-Backbone interact. energy: -0.148 local terms energy: -27.449467 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: -10897.145 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -10704.754630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10704.754630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.384447 (E_RNA) where: Base-Base interactions energy: -54.617 where: short stacking energy: -26.243 Base-Backbone interact. energy: -0.178 local terms energy: -34.589736 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: -10615.370 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -10740.680727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10740.680727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.692408 (E_RNA) where: Base-Base interactions energy: -66.754 where: short stacking energy: -28.460 Base-Backbone interact. energy: -0.008 local terms energy: -32.930311 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: -10640.988 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -10729.871376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10729.871376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.045967 (E_RNA) where: Base-Base interactions energy: -66.788 where: short stacking energy: -23.090 Base-Backbone interact. energy: -0.008 local terms energy: -26.250400 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -6.071 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: -10636.825 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -10868.977253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10868.977253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.543639 (E_RNA) where: Base-Base interactions energy: -59.322 where: short stacking energy: -27.346 Base-Backbone interact. energy: -0.004 local terms energy: -27.218058 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -1.191 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: -10782.434 (S_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: 72 Temperature: 0.900000 Total energy: -18773.417334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18773.417334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.065740 (E_RNA) where: Base-Base interactions energy: -68.411 where: short stacking energy: -30.251 Base-Backbone interact. energy: -0.649 local terms energy: -32.005620 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -6.665 Dist. restrs. and SS energy: -18672.352 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -11183.165660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11183.165660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.410461 (E_RNA) where: Base-Base interactions energy: -64.056 where: short stacking energy: -27.673 Base-Backbone interact. energy: 1.279 local terms energy: -26.633490 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -4.278 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: -11093.755 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -10822.286366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10822.286366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.485477 (E_RNA) where: Base-Base interactions energy: -63.401 where: short stacking energy: -27.679 Base-Backbone interact. energy: -0.004 local terms energy: -29.080368 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: -10729.801 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -10810.614492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10810.614492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.087081 (E_RNA) where: Base-Base interactions energy: -63.391 where: short stacking energy: -24.946 Base-Backbone interact. energy: -0.036 local terms energy: -27.660332 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -4.990 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: -10719.527 (S_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: 72 Temperature: 1.100000 Total energy: -11248.296352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11248.296352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.438961 (E_RNA) where: Base-Base interactions energy: -64.048 where: short stacking energy: -30.109 Base-Backbone interact. energy: -1.182 local terms energy: -37.208327 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -8.453 Dist. restrs. and SS energy: -11145.857 (S_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: 72 Temperature: 1.150000 Total energy: -10806.795690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10806.795690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.743622 (E_RNA) where: Base-Base interactions energy: -67.304 where: short stacking energy: -32.995 Base-Backbone interact. energy: -0.000 local terms energy: -30.439295 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -8.391 Dist. restrs. and SS energy: -10709.052 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -10878.544025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10878.544025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.571929 (E_RNA) where: Base-Base interactions energy: -63.735 where: short stacking energy: -29.355 Base-Backbone interact. energy: -0.884 local terms energy: -29.952923 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: -10783.972 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -10847.171824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10847.171824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.604824 (E_RNA) where: Base-Base interactions energy: -58.237 where: short stacking energy: -22.349 Base-Backbone interact. energy: -0.183 local terms energy: -34.184201 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -6.267 Dist. restrs. and SS energy: -10754.567 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -11056.923846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11056.923846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.029927 (E_RNA) where: Base-Base interactions energy: -59.824 where: short stacking energy: -24.046 Base-Backbone interact. energy: -0.022 local terms energy: -30.183541 where: bonds (distance) C4'-P energy: -4.934 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: -10966.894 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -10868.236963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10868.236963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.893303 (E_RNA) where: Base-Base interactions energy: -51.534 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.013 local terms energy: -20.345681 where: bonds (distance) C4'-P energy: -4.023 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: 0.902 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: -10796.344 (S_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: 73 Temperature: 0.900000 Total energy: -18867.952450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18867.952450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.116401 (E_RNA) where: Base-Base interactions energy: -64.274 where: short stacking energy: -32.831 Base-Backbone interact. energy: -0.000 local terms energy: -33.842321 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -7.609 Dist. restrs. and SS energy: -18769.836 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -11275.506085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11275.506085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.840820 (E_RNA) where: Base-Base interactions energy: -60.352 where: short stacking energy: -25.030 Base-Backbone interact. energy: -0.044 local terms energy: -36.445146 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: -11178.665 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -10971.728990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10971.728990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.869133 (E_RNA) where: Base-Base interactions energy: -64.458 where: short stacking energy: -32.077 Base-Backbone interact. energy: -0.003 local terms energy: -36.408040 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: -10870.860 (S_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: 73 Temperature: 1.050000 Total energy: -11403.634510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11403.634510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.981449 (E_RNA) where: Base-Base interactions energy: -71.746 where: short stacking energy: -31.180 Base-Backbone interact. energy: -0.000 local terms energy: -30.235021 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -1.232 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: -11301.653 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -10924.625226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10924.625226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.956743 (E_RNA) where: Base-Base interactions energy: -58.881 where: short stacking energy: -16.742 Base-Backbone interact. energy: -0.002 local terms energy: -26.073786 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.278 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: -10839.668 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -11025.375089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11025.375089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.761002 (E_RNA) where: Base-Base interactions energy: -65.783 where: short stacking energy: -27.366 Base-Backbone interact. energy: -0.001 local terms energy: -30.976375 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: -10928.614 (S_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: 73 Temperature: 1.200000 Total energy: -10940.652172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -10940.652172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.059955 (E_RNA) where: Base-Base interactions energy: -57.759 where: short stacking energy: -31.689 Base-Backbone interact. energy: -0.862 local terms energy: -29.439536 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -1.600 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: -10852.592 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -11200.443342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11200.443342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.701032 (E_RNA) where: Base-Base interactions energy: -61.634 where: short stacking energy: -30.486 Base-Backbone interact. energy: -0.000 local terms energy: -26.066527 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -1.325 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: -11112.742 (S_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: 73 Temperature: 1.300000 Total energy: -11013.262556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11013.262556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.009304 (E_RNA) where: Base-Base interactions energy: -62.202 where: short stacking energy: -27.755 Base-Backbone interact. energy: -0.002 local terms energy: -19.805188 where: bonds (distance) C4'-P energy: -0.976 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: -10931.253 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -11082.030740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11082.030740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.917798 (E_RNA) where: Base-Base interactions energy: -59.812 where: short stacking energy: -29.392 Base-Backbone interact. energy: -0.020 local terms energy: -25.086212 where: bonds (distance) C4'-P energy: -2.438 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -2.050 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: -10997.113 (S_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: 74 Temperature: 0.900000 Total energy: -18977.034074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18977.034074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.339994 (E_RNA) where: Base-Base interactions energy: -66.818 where: short stacking energy: -28.809 Base-Backbone interact. energy: -0.003 local terms energy: -28.518696 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: -18881.694 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -11370.070713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11370.070713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.426674 (E_RNA) where: Base-Base interactions energy: -69.233 where: short stacking energy: -29.393 Base-Backbone interact. energy: -0.001 local terms energy: -34.192607 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: -11266.644 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -11519.600831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11519.600831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.714933 (E_RNA) where: Base-Base interactions energy: -73.754 where: short stacking energy: -36.951 Base-Backbone interact. energy: -0.000 local terms energy: -34.960928 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -7.894 Dist. restrs. and SS energy: -11410.886 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -11073.770705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11073.770705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.262964 (E_RNA) where: Base-Base interactions energy: -65.367 where: short stacking energy: -26.044 Base-Backbone interact. energy: -0.255 local terms energy: -31.640567 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: -10976.508 (S_DIST_RNA) chem. 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: -11170.839605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11170.839605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.386838 (E_RNA) where: Base-Base interactions energy: -65.299 where: short stacking energy: -31.020 Base-Backbone interact. energy: -0.907 local terms energy: -29.180523 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.999 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -5.621 Dist. restrs. and SS energy: -11075.453 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -11048.672527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11048.672527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.249284 (E_RNA) where: Base-Base interactions energy: -64.977 where: short stacking energy: -23.182 Base-Backbone interact. energy: -0.054 local terms energy: -26.218231 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: -10957.423 (S_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: 74 Temperature: 1.200000 Total energy: -11360.564689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11360.564689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.859079 (E_RNA) where: Base-Base interactions energy: -53.566 where: short stacking energy: -23.978 Base-Backbone interact. energy: -0.099 local terms energy: -33.194501 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: -11273.706 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -11090.446412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11090.446412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.948140 (E_RNA) where: Base-Base interactions energy: -61.459 where: short stacking energy: -23.167 Base-Backbone interact. energy: -0.001 local terms energy: -29.488520 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -8.317 Dist. restrs. and SS energy: -10999.498 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -11250.386136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11250.386136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.281275 (E_RNA) where: Base-Base interactions energy: -66.482 where: short stacking energy: -28.564 Base-Backbone interact. energy: -0.000 local terms energy: -31.799103 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -6.972 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -7.428 Dist. restrs. and SS energy: -11152.105 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -11180.306497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11180.306497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.706209 (E_RNA) where: Base-Base interactions energy: -62.527 where: short stacking energy: -22.412 Base-Backbone interact. energy: 0.324 local terms energy: -26.503396 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -5.804 Dist. restrs. and SS energy: -11091.600 (S_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: 75 Temperature: 0.900000 Total energy: -19066.601434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19066.601434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.780264 (E_RNA) where: Base-Base interactions energy: -73.512 where: short stacking energy: -24.540 Base-Backbone interact. energy: -0.004 local terms energy: -26.265071 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: 0.045 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: -18966.821 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -11623.076994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11623.076994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.267997 (E_RNA) where: Base-Base interactions energy: -68.576 where: short stacking energy: -35.503 Base-Backbone interact. energy: -0.140 local terms energy: -35.552618 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: -11518.809 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -11482.139998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11482.139998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.531158 (E_RNA) where: Base-Base interactions energy: -65.368 where: short stacking energy: -26.758 Base-Backbone interact. energy: -0.020 local terms energy: -34.142655 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: -11382.609 (S_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: 75 Temperature: 1.050000 Total energy: -11311.426333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11311.426333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.922952 (E_RNA) where: Base-Base interactions energy: -68.350 where: short stacking energy: -32.773 Base-Backbone interact. energy: -0.000 local terms energy: -38.572712 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -9.963 Dist. restrs. and SS energy: -11204.503 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -11181.484489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11181.484489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.568181 (E_RNA) where: Base-Base interactions energy: -64.916 where: short stacking energy: -28.439 Base-Backbone interact. energy: -0.001 local terms energy: -34.651219 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: -11081.916 (S_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: 75 Temperature: 1.150000 Total energy: -11511.187783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11511.187783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.932394 (E_RNA) where: Base-Base interactions energy: -60.464 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.010 local terms energy: -31.458170 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: -11419.255 (S_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: -11189.897457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11189.897457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.709468 (E_RNA) where: Base-Base interactions energy: -64.536 where: short stacking energy: -27.994 Base-Backbone interact. energy: -0.001 local terms energy: -30.172596 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -4.756 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -6.946 Dist. restrs. and SS energy: -11095.188 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -11386.036624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11386.036624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.341237 (E_RNA) where: Base-Base interactions energy: -63.263 where: short stacking energy: -33.551 Base-Backbone interact. energy: -0.000 local terms energy: -33.078160 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.703 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: -11289.695 (S_DIST_RNA) chem. 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: -11257.426102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11257.426102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.116134 (E_RNA) where: Base-Base interactions energy: -54.989 where: short stacking energy: -21.652 Base-Backbone interact. energy: -0.037 local terms energy: -22.089929 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: 1.338 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: -11180.310 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -11382.180359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11382.180359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.263476 (E_RNA) where: Base-Base interactions energy: -62.591 where: short stacking energy: -35.404 Base-Backbone interact. energy: -0.001 local terms energy: -35.671454 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.398 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -8.983 Dist. restrs. and SS energy: -11283.917 (S_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: 76 Temperature: 0.900000 Total energy: -19158.776705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19158.776705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.386348 (E_RNA) where: Base-Base interactions energy: -68.583 where: short stacking energy: -25.207 Base-Backbone interact. energy: -0.001 local terms energy: -33.802564 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -8.742 Dist. restrs. and SS energy: -19056.390 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -11757.008458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11757.008458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.468337 (E_RNA) where: Base-Base interactions energy: -69.510 where: short stacking energy: -35.112 Base-Backbone interact. energy: -0.000 local terms energy: -32.958485 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -2.924 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -9.450 Dist. restrs. and SS energy: -11654.540 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -11578.885197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11578.885197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.910383 (E_RNA) where: Base-Base interactions energy: -67.534 where: short stacking energy: -33.138 Base-Backbone interact. energy: -0.908 local terms energy: -33.468769 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -8.000 Dist. restrs. and SS energy: -11476.975 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -11408.961920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11408.961920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.579395 (E_RNA) where: Base-Base interactions energy: -65.949 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.914 local terms energy: -30.717196 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: -11311.383 (S_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: 76 Temperature: 1.100000 Total energy: -11627.435896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11627.435896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.560499 (E_RNA) where: Base-Base interactions energy: -72.222 where: short stacking energy: -20.054 Base-Backbone interact. energy: -0.790 local terms energy: -25.547920 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: -11528.875 (S_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: 76 Temperature: 1.150000 Total energy: -11298.491297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11298.491297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.459993 (E_RNA) where: Base-Base interactions energy: -70.529 where: short stacking energy: -27.623 Base-Backbone interact. energy: -0.327 local terms energy: -26.604543 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: -11201.031 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -11585.207815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11585.207815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.498630 (E_RNA) where: Base-Base interactions energy: -60.290 where: short stacking energy: -25.011 Base-Backbone interact. energy: -0.000 local terms energy: -31.208515 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: -11493.709 (S_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: 76 Temperature: 1.250000 Total energy: -11324.497479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11324.497479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.581273 (E_RNA) where: Base-Base interactions energy: -63.816 where: short stacking energy: -30.732 Base-Backbone interact. energy: -0.003 local terms energy: -29.762787 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -7.535 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -7.889 Dist. restrs. and SS energy: -11230.916 (S_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: 76 Temperature: 1.300000 Total energy: -11643.351852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11643.351852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.870269 (E_RNA) where: Base-Base interactions energy: -52.581 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.253 local terms energy: -20.036452 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -0.482 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: -11570.482 (S_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: -11465.802922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11465.802922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.971827 (E_RNA) where: Base-Base interactions energy: -61.066 where: short stacking energy: -23.812 Base-Backbone interact. energy: -0.001 local terms energy: -29.904062 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -6.353 Dist. restrs. and SS energy: -11374.831 (S_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: 77 Temperature: 0.900000 Total energy: -19256.239743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19256.239743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.048960 (E_RNA) where: Base-Base interactions energy: -68.713 where: short stacking energy: -28.693 Base-Backbone interact. energy: -1.056 local terms energy: -28.279992 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: 0.771 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: -19158.191 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -11858.618690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11858.618690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.343020 (E_RNA) where: Base-Base interactions energy: -67.147 where: short stacking energy: -27.962 Base-Backbone interact. energy: -0.247 local terms energy: -27.948673 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: -11763.276 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -11682.695164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11682.695164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.845876 (E_RNA) where: Base-Base interactions energy: -61.407 where: short stacking energy: -32.178 Base-Backbone interact. energy: -0.001 local terms energy: -35.438594 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -9.629 Dist. restrs. and SS energy: -11585.849 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -11729.854177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11729.854177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.262564 (E_RNA) where: Base-Base interactions energy: -66.857 where: short stacking energy: -25.201 Base-Backbone interact. energy: -0.520 local terms energy: -27.885929 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: -11634.592 (S_DIST_RNA) chem. 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: -11554.127576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11554.127576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.889032 (E_RNA) where: Base-Base interactions energy: -58.618 where: short stacking energy: -19.716 Base-Backbone interact. energy: -0.001 local terms energy: -35.269433 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: -11460.239 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -11704.168969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11704.168969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.566374 (E_RNA) where: Base-Base interactions energy: -63.819 where: short stacking energy: -17.189 Base-Backbone interact. energy: -0.002 local terms energy: -26.745574 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: -11613.603 (S_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: 77 Temperature: 1.200000 Total energy: -11418.507008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11418.507008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.343726 (E_RNA) where: Base-Base interactions energy: -65.515 where: short stacking energy: -24.245 Base-Backbone interact. energy: -0.001 local terms energy: -24.827541 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -7.219 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -1.334 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: -11328.163 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -11802.108152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11802.108152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.918639 (E_RNA) where: Base-Base interactions energy: -63.142 where: short stacking energy: -23.203 Base-Backbone interact. energy: -0.003 local terms energy: -27.774053 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: -11711.190 (S_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: 77 Temperature: 1.300000 Total energy: -11475.152451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11475.152451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.132097 (E_RNA) where: Base-Base interactions energy: -61.578 where: short stacking energy: -26.267 Base-Backbone interact. energy: 1.225 local terms energy: -28.779138 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -8.743 Dist. restrs. and SS energy: -11386.020 (S_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: -11642.787000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11642.787000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.607927 (E_RNA) where: Base-Base interactions energy: -65.515 where: short stacking energy: -29.564 Base-Backbone interact. energy: -0.001 local terms energy: -24.091773 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -0.889 tors. eta vs tors. theta energy: -8.097 Dist. restrs. and SS energy: -11553.179 (S_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: 78 Temperature: 0.900000 Total energy: -19357.348130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19357.348130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.743056 (E_RNA) where: Base-Base interactions energy: -70.080 where: short stacking energy: -32.549 Base-Backbone interact. energy: -0.399 local terms energy: -34.264602 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: -19252.605 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -11952.308433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11952.308433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.598725 (E_RNA) where: Base-Base interactions energy: -71.319 where: short stacking energy: -30.252 Base-Backbone interact. energy: -0.000 local terms energy: -29.279188 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: -11851.710 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -11836.950743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11836.950743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.908205 (E_RNA) where: Base-Base interactions energy: -67.846 where: short stacking energy: -33.216 Base-Backbone interact. energy: -0.001 local terms energy: -32.061644 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -6.325 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -9.308 Dist. restrs. and SS energy: -11737.043 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -11809.515305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11809.515305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.339514 (E_RNA) where: Base-Base interactions energy: -62.553 where: short stacking energy: -30.359 Base-Backbone interact. energy: -0.001 local terms energy: -37.785362 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -8.627 Dist. restrs. and SS energy: -11709.176 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -11837.417249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11837.417249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.663533 (E_RNA) where: Base-Base interactions energy: -67.818 where: short stacking energy: -29.511 Base-Backbone interact. energy: -0.001 local terms energy: -33.844703 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: -11735.754 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -11704.663836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11704.663836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.312365 (E_RNA) where: Base-Base interactions energy: -65.589 where: short stacking energy: -33.353 Base-Backbone interact. energy: -0.001 local terms energy: -26.722585 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: 2.201 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: -11612.351 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -11962.032067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11962.032067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.125150 (E_RNA) where: Base-Base interactions energy: -59.909 where: short stacking energy: -26.733 Base-Backbone interact. energy: -0.002 local terms energy: -25.214274 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -4.845 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: -11876.907 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -11604.161108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11604.161108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.104245 (E_RNA) where: Base-Base interactions energy: -59.394 where: short stacking energy: -29.623 Base-Backbone interact. energy: -0.002 local terms energy: -29.707929 where: bonds (distance) C4'-P energy: -5.799 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: -11515.057 (S_DIST_RNA) chem. 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: -11787.537561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11787.537561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.190947 (E_RNA) where: Base-Base interactions energy: -67.333 where: short stacking energy: -32.317 Base-Backbone interact. energy: -0.002 local terms energy: -27.855300 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.073 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -0.059 tors. eta vs tors. theta energy: -10.066 Dist. restrs. and SS energy: -11692.347 (S_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: 78 Temperature: 1.350000 Total energy: -11645.757851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11645.757851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.219800 (E_RNA) where: Base-Base interactions energy: -55.999 where: short stacking energy: -23.628 Base-Backbone interact. energy: -0.000 local terms energy: -31.220967 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: -11558.538 (S_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: 79 Temperature: 0.900000 Total energy: -19457.366116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19457.366116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.409207 (E_RNA) where: Base-Base interactions energy: -70.770 where: short stacking energy: -31.207 Base-Backbone interact. energy: -0.000 local terms energy: -33.638903 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -7.934 Dist. restrs. and SS energy: -19352.957 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -12079.252692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12079.252692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.347404 (E_RNA) where: Base-Base interactions energy: -67.816 where: short stacking energy: -29.724 Base-Backbone interact. energy: -0.231 local terms energy: -31.300391 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -0.549 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: -11979.905 (S_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: -11924.541113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11924.541113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.593747 (E_RNA) where: Base-Base interactions energy: -63.957 where: short stacking energy: -28.428 Base-Backbone interact. energy: -0.702 local terms energy: -26.935106 where: bonds (distance) C4'-P energy: -3.129 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -7.525 Dist. restrs. and SS energy: -11832.947 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -11963.571786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11963.571786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.363239 (E_RNA) where: Base-Base interactions energy: -62.529 where: short stacking energy: -23.385 Base-Backbone interact. energy: -0.057 local terms energy: -26.777198 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: -11874.209 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -11910.035896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11910.035896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.924399 (E_RNA) where: Base-Base interactions energy: -62.356 where: short stacking energy: -26.851 Base-Backbone interact. energy: -0.290 local terms energy: -32.278989 where: bonds (distance) C4'-P energy: -3.950 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: -11815.111 (S_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: -12136.374110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12136.374110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.827741 (E_RNA) where: Base-Base interactions energy: -61.112 where: short stacking energy: -24.364 Base-Backbone interact. energy: -0.128 local terms energy: -30.588090 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: -12044.546 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -11857.203803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11857.203803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.260030 (E_RNA) where: Base-Base interactions energy: -59.903 where: short stacking energy: -29.689 Base-Backbone interact. energy: -0.001 local terms energy: -26.356093 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: 0.416 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: -11770.944 (S_DIST_RNA) chem. 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: -11934.129034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11934.129034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.941793 (E_RNA) where: Base-Base interactions energy: -65.537 where: short stacking energy: -27.907 Base-Backbone interact. energy: 0.192 local terms energy: -30.596461 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: 0.680 tors. eta vs tors. theta energy: -8.062 Dist. restrs. and SS energy: -11838.187 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -11768.464843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11768.464843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.064342 (E_RNA) where: Base-Base interactions energy: -59.967 where: short stacking energy: -30.755 Base-Backbone interact. energy: -0.909 local terms energy: -33.188701 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: -11674.401 (S_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: 79 Temperature: 1.350000 Total energy: -11820.486592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11820.486592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.672994 (E_RNA) where: Base-Base interactions energy: -60.902 where: short stacking energy: -26.312 Base-Backbone interact. energy: -0.013 local terms energy: -25.758304 where: bonds (distance) C4'-P energy: -2.744 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: -11733.814 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -19566.432436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19566.432436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.890151 (E_RNA) where: Base-Base interactions energy: -73.287 where: short stacking energy: -36.934 Base-Backbone interact. energy: -0.001 local terms energy: -32.602624 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -9.222 Dist. restrs. and SS energy: -19460.542 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -12186.928785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12186.928785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.252382 (E_RNA) where: Base-Base interactions energy: -63.430 where: short stacking energy: -29.563 Base-Backbone interact. energy: -0.002 local terms energy: -31.819901 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: -12091.676 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -12089.847772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12089.847772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.912205 (E_RNA) where: Base-Base interactions energy: -64.235 where: short stacking energy: -26.406 Base-Backbone interact. energy: -0.005 local terms energy: -29.671611 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: -11995.936 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -12048.258003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12048.258003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.584906 (E_RNA) where: Base-Base interactions energy: -64.969 where: short stacking energy: -32.043 Base-Backbone interact. energy: -0.001 local terms energy: -33.615389 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: -11949.673 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -12281.697637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12281.697637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.394750 (E_RNA) where: Base-Base interactions energy: -66.210 where: short stacking energy: -30.439 Base-Backbone interact. energy: -0.449 local terms energy: -34.735017 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: -12180.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -12038.064616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12038.064616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.172452 (E_RNA) where: Base-Base interactions energy: -55.245 where: short stacking energy: -31.295 Base-Backbone interact. energy: -0.005 local terms energy: -32.923075 where: bonds (distance) C4'-P energy: -3.700 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -9.023 Dist. restrs. and SS energy: -11949.892 (S_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: 80 Temperature: 1.200000 Total energy: -12049.195031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12049.195031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.366948 (E_RNA) where: Base-Base interactions energy: -57.051 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.019 local terms energy: -22.296775 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: 0.253 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: -11969.828 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -12017.816369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12017.816369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.517449 (E_RNA) where: Base-Base interactions energy: -60.894 where: short stacking energy: -24.631 Base-Backbone interact. energy: -0.299 local terms energy: -26.323781 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: -11930.299 (S_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: 80 Temperature: 1.300000 Total energy: -11994.204612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11994.204612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.339197 (E_RNA) where: Base-Base interactions energy: -61.962 where: short stacking energy: -26.965 Base-Backbone interact. energy: -0.034 local terms energy: -30.343394 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: -11901.865 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -11940.927614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -11940.927614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.593693 (E_RNA) where: Base-Base interactions energy: -58.775 where: short stacking energy: -20.562 Base-Backbone interact. energy: -0.004 local terms energy: -18.815191 where: bonds (distance) C4'-P energy: -4.379 bonds (distance) P-C4' energy: -2.228 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: -11863.334 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -19662.437792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19662.437792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.428072 (E_RNA) where: Base-Base interactions energy: -67.562 where: short stacking energy: -33.181 Base-Backbone interact. energy: -0.000 local terms energy: -34.865996 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -9.586 Dist. restrs. and SS energy: -19560.010 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -12292.915831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12292.915831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.115757 (E_RNA) where: Base-Base interactions energy: -62.698 where: short stacking energy: -24.521 Base-Backbone interact. energy: -0.008 local terms energy: -31.409821 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -5.852 Dist. restrs. and SS energy: -12198.800 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -12206.261090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12206.261090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.840199 (E_RNA) where: Base-Base interactions energy: -62.502 where: short stacking energy: -24.361 Base-Backbone interact. energy: -0.001 local terms energy: -35.338122 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -7.794 Dist. restrs. and SS energy: -12108.421 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -12419.114124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12419.114124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.753134 (E_RNA) where: Base-Base interactions energy: -69.861 where: short stacking energy: -27.448 Base-Backbone interact. energy: -0.001 local terms energy: -34.891740 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: -12314.361 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -12189.780896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12189.780896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.077649 (E_RNA) where: Base-Base interactions energy: -68.595 where: short stacking energy: -26.091 Base-Backbone interact. energy: -0.034 local terms energy: -25.448725 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: 0.843 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: -12095.703 (S_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: 81 Temperature: 1.150000 Total energy: -12210.313291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12210.313291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.635577 (E_RNA) where: Base-Base interactions energy: -56.642 where: short stacking energy: -26.097 Base-Backbone interact. energy: -0.001 local terms energy: -30.993193 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: -12122.678 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -12186.784013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12186.784013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.179908 (E_RNA) where: Base-Base interactions energy: -64.672 where: short stacking energy: -32.761 Base-Backbone interact. energy: -0.000 local terms energy: -32.507501 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -9.320 Dist. restrs. and SS energy: -12089.604 (S_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: 81 Temperature: 1.250000 Total energy: -12178.003741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12178.003741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.873381 (E_RNA) where: Base-Base interactions energy: -68.444 where: short stacking energy: -28.044 Base-Backbone interact. energy: -0.135 local terms energy: -26.295109 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: -12083.130 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -12173.303784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12173.303784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.207620 (E_RNA) where: Base-Base interactions energy: -60.451 where: short stacking energy: -23.566 Base-Backbone interact. energy: -0.007 local terms energy: -24.749818 where: bonds (distance) C4'-P energy: -3.901 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: -12088.096 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -12095.526867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12095.526867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.046572 (E_RNA) where: Base-Base interactions energy: -66.675 where: short stacking energy: -22.150 Base-Backbone interact. energy: -0.064 local terms energy: -23.308161 where: bonds (distance) C4'-P energy: -0.749 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: -12005.480 (S_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: 82 Temperature: 0.900000 Total energy: -19762.420654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19762.420654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.941400 (E_RNA) where: Base-Base interactions energy: -66.801 where: short stacking energy: -20.145 Base-Backbone interact. energy: -0.005 local terms energy: -33.135583 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: -19662.479 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -12385.649115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12385.649115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.937295 (E_RNA) where: Base-Base interactions energy: -68.623 where: short stacking energy: -35.175 Base-Backbone interact. energy: -0.000 local terms energy: -35.313920 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: -12281.712 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -12519.989689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12519.989689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.319289 (E_RNA) where: Base-Base interactions energy: -61.649 where: short stacking energy: -25.939 Base-Backbone interact. energy: -0.303 local terms energy: -30.367367 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: -12427.670 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -12340.008664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12340.008664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.017215 (E_RNA) where: Base-Base interactions energy: -65.700 where: short stacking energy: -23.931 Base-Backbone interact. energy: -0.041 local terms energy: -28.276057 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: -12245.991 (S_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: 82 Temperature: 1.100000 Total energy: -12353.150195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12353.150195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.086031 (E_RNA) where: Base-Base interactions energy: -64.546 where: short stacking energy: -26.068 Base-Backbone interact. energy: -0.000 local terms energy: -31.539612 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -7.801 Dist. restrs. and SS energy: -12257.064 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -12404.924375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12404.924375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.729651 (E_RNA) where: Base-Base interactions energy: -54.540 where: short stacking energy: -21.763 Base-Backbone interact. energy: -0.059 local terms energy: -24.131224 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: -12326.195 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -12329.974788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12329.974788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.050424 (E_RNA) where: Base-Base interactions energy: -60.720 where: short stacking energy: -22.332 Base-Backbone interact. energy: -0.557 local terms energy: -29.774122 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: -12238.924 (S_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: 82 Temperature: 1.250000 Total energy: -12317.396680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12317.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.115147 (E_RNA) where: Base-Base interactions energy: -60.971 where: short stacking energy: -21.371 Base-Backbone interact. energy: -0.001 local terms energy: -32.143473 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: -12224.282 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -12363.267816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12363.267816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.690716 (E_RNA) where: Base-Base interactions energy: -63.280 where: short stacking energy: -27.816 Base-Backbone interact. energy: -0.137 local terms energy: -29.274122 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -5.869 Dist. restrs. and SS energy: -12270.577 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -12276.572851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12276.572851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.340267 (E_RNA) where: Base-Base interactions energy: -56.368 where: short stacking energy: -24.583 Base-Backbone interact. energy: -0.574 local terms energy: -31.398223 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: -12188.233 (S_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: 83 Temperature: 0.900000 Total energy: -19856.522092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19856.522092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.468529 (E_RNA) where: Base-Base interactions energy: -67.707 where: short stacking energy: -28.488 Base-Backbone interact. energy: -0.235 local terms energy: -34.526586 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -8.130 Dist. restrs. and SS energy: -19754.054 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -12634.557924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12634.557924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.450910 (E_RNA) where: Base-Base interactions energy: -68.006 where: short stacking energy: -34.648 Base-Backbone interact. energy: -0.000 local terms energy: -37.444622 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -8.604 Dist. restrs. and SS energy: -12529.107 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -12499.411089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12499.411089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.337373 (E_RNA) where: Base-Base interactions energy: -67.128 where: short stacking energy: -26.757 Base-Backbone interact. energy: -0.002 local terms energy: -32.207269 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: -12400.074 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -12495.107598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12495.107598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.478736 (E_RNA) where: Base-Base interactions energy: -62.612 where: short stacking energy: -26.302 Base-Backbone interact. energy: -0.005 local terms energy: -30.861260 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -0.708 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: -12401.629 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -12447.052932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12447.052932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.404821 (E_RNA) where: Base-Base interactions energy: -67.763 where: short stacking energy: -28.645 Base-Backbone interact. energy: -0.154 local terms energy: -31.487492 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -4.613 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: -12347.648 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -12639.345775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12639.345775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.016194 (E_RNA) where: Base-Base interactions energy: -66.107 where: short stacking energy: -29.213 Base-Backbone interact. energy: -0.005 local terms energy: -30.904775 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: -12542.330 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -12467.093962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12467.093962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.795089 (E_RNA) where: Base-Base interactions energy: -59.730 where: short stacking energy: -26.381 Base-Backbone interact. energy: -1.229 local terms energy: -29.836032 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -5.340 Dist. restrs. and SS energy: -12376.299 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -12494.848945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12494.848945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.792734 (E_RNA) where: Base-Base interactions energy: -65.904 where: short stacking energy: -27.764 Base-Backbone interact. energy: -0.498 local terms energy: -14.390401 where: bonds (distance) C4'-P energy: -0.907 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: 2.316 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: -12414.056 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -12517.402493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12517.402493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.802165 (E_RNA) where: Base-Base interactions energy: -69.168 where: short stacking energy: -22.868 Base-Backbone interact. energy: -0.001 local terms energy: -26.632754 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.198 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -1.666 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: -12421.600 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -12443.543165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12443.543165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.469248 (E_RNA) where: Base-Base interactions energy: -61.344 where: short stacking energy: -25.599 Base-Backbone interact. energy: 0.793 local terms energy: -23.918531 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -0.637 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: -12359.074 (S_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: 84 Temperature: 0.900000 Total energy: -19933.373843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19933.373843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.028282 (E_RNA) where: Base-Base interactions energy: -70.734 where: short stacking energy: -29.575 Base-Backbone interact. energy: -0.001 local terms energy: -31.294014 where: bonds (distance) C4'-P energy: -5.407 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -7.441 Dist. restrs. and SS energy: -19831.346 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -12728.964278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12728.964278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.953518 (E_RNA) where: Base-Base interactions energy: -67.666 where: short stacking energy: -27.995 Base-Backbone interact. energy: -0.001 local terms energy: -30.286891 where: bonds (distance) C4'-P energy: -6.206 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: -12631.011 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -12600.741784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12600.741784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.386063 (E_RNA) where: Base-Base interactions energy: -55.809 where: short stacking energy: -23.568 Base-Backbone interact. energy: -0.036 local terms energy: -30.540946 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.484 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: -12514.356 (S_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: 84 Temperature: 1.050000 Total energy: -12615.392094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12615.392094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.492435 (E_RNA) where: Base-Base interactions energy: -65.790 where: short stacking energy: -25.598 Base-Backbone interact. energy: -1.064 local terms energy: -30.638841 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: -12517.900 (S_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: 84 Temperature: 1.100000 Total energy: -12784.377240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12784.377240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.325944 (E_RNA) where: Base-Base interactions energy: -56.172 where: short stacking energy: -18.595 Base-Backbone interact. energy: -0.013 local terms energy: -27.141908 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -3.857 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: -12701.051 (S_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: 84 Temperature: 1.150000 Total energy: -12573.284333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12573.284333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.916852 (E_RNA) where: Base-Base interactions energy: -67.422 where: short stacking energy: -34.165 Base-Backbone interact. energy: -0.000 local terms energy: -33.494839 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: -12472.367 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -12636.736638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12636.736638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.159967 (E_RNA) where: Base-Base interactions energy: -63.441 where: short stacking energy: -26.123 Base-Backbone interact. energy: -0.002 local terms energy: -23.717059 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -1.331 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: -12549.577 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -12626.009882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12626.009882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.789163 (E_RNA) where: Base-Base interactions energy: -57.346 where: short stacking energy: -22.021 Base-Backbone interact. energy: -1.022 local terms energy: -31.420817 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: -12536.221 (S_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: 84 Temperature: 1.300000 Total energy: -12678.115898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12678.115898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.749043 (E_RNA) where: Base-Base interactions energy: -58.954 where: short stacking energy: -22.944 Base-Backbone interact. energy: -0.407 local terms energy: -26.387498 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: -12592.367 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -12620.972844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12620.972844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.261603 (E_RNA) where: Base-Base interactions energy: -61.580 where: short stacking energy: -14.016 Base-Backbone interact. energy: -0.034 local terms energy: -24.648022 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -4.516 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: -12534.711 (S_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: 85 Temperature: 0.900000 Total energy: -20035.632999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20035.632999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.673778 (E_RNA) where: Base-Base interactions energy: -71.360 where: short stacking energy: -26.480 Base-Backbone interact. energy: -0.002 local terms energy: -29.312250 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -8.136 Dist. restrs. and SS energy: -19934.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -12826.585630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12826.585630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.245971 (E_RNA) where: Base-Base interactions energy: -65.645 where: short stacking energy: -25.451 Base-Backbone interact. energy: -0.059 local terms energy: -33.541709 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: -12727.340 (S_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: 85 Temperature: 1.000000 Total energy: -12717.124517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12717.124517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.340665 (E_RNA) where: Base-Base interactions energy: -60.792 where: short stacking energy: -27.619 Base-Backbone interact. energy: -1.949 local terms energy: -30.599007 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: -12623.784 (S_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: 85 Temperature: 1.050000 Total energy: -12935.159477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12935.159477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.291554 (E_RNA) where: Base-Base interactions energy: -63.796 where: short stacking energy: -19.476 Base-Backbone interact. energy: -0.014 local terms energy: -30.481154 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: -12840.868 (S_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: 85 Temperature: 1.100000 Total energy: -12752.316147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12752.316147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.929731 (E_RNA) where: Base-Base interactions energy: -61.097 where: short stacking energy: -27.070 Base-Backbone interact. energy: -0.003 local terms energy: -33.828974 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: -12657.386 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -12763.821639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12763.821639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.106344 (E_RNA) where: Base-Base interactions energy: -61.890 where: short stacking energy: -17.158 Base-Backbone interact. energy: -0.013 local terms energy: -26.203063 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: -12675.715 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -12687.343080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12687.343080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.380825 (E_RNA) where: Base-Base interactions energy: -60.534 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.885 local terms energy: -27.961846 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: -12597.962 (S_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: 85 Temperature: 1.250000 Total energy: -12885.716935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12885.716935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.148681 (E_RNA) where: Base-Base interactions energy: -51.498 where: short stacking energy: -22.195 Base-Backbone interact. energy: -0.022 local terms energy: -23.628897 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: -12810.568 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -12778.361752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12778.361752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.317247 (E_RNA) where: Base-Base interactions energy: -52.505 where: short stacking energy: -21.563 Base-Backbone interact. energy: -0.003 local terms energy: -28.809284 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -4.433 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: -12697.045 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -12806.190354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12806.190354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.609068 (E_RNA) where: Base-Base interactions energy: -57.757 where: short stacking energy: -19.391 Base-Backbone interact. energy: -0.004 local terms energy: -27.847591 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: -12720.581 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -20140.198365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20140.198365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.163917 (E_RNA) where: Base-Base interactions energy: -70.821 where: short stacking energy: -33.628 Base-Backbone interact. energy: -0.002 local terms energy: -30.341366 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.005 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: -20039.034 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -12910.411174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12910.411174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.252835 (E_RNA) where: Base-Base interactions energy: -70.711 where: short stacking energy: -22.581 Base-Backbone interact. energy: -0.022 local terms energy: -26.519956 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: -12813.158 (S_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: 86 Temperature: 1.000000 Total energy: -13071.147683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13071.147683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.461421 (E_RNA) where: Base-Base interactions energy: -55.882 where: short stacking energy: -22.224 Base-Backbone interact. energy: 0.695 local terms energy: -31.273774 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.018 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: -12984.686 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -12835.615889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12835.615889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.781545 (E_RNA) where: Base-Base interactions energy: -58.300 where: short stacking energy: -27.074 Base-Backbone interact. energy: -0.001 local terms energy: -32.480874 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: -12744.834 (S_DIST_RNA) chem. 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: -12892.552742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12892.552742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.749465 (E_RNA) where: Base-Base interactions energy: -67.635 where: short stacking energy: -19.534 Base-Backbone interact. energy: -0.008 local terms energy: -21.106192 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -5.399 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -0.102 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: -12803.803 (S_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: 86 Temperature: 1.150000 Total energy: -12870.835615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12870.835615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.675171 (E_RNA) where: Base-Base interactions energy: -58.794 where: short stacking energy: -33.358 Base-Backbone interact. energy: -0.001 local terms energy: -33.880879 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: 0.705 tors. eta vs tors. theta energy: -9.874 Dist. restrs. and SS energy: -12778.160 (S_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: 86 Temperature: 1.200000 Total energy: -13020.332582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13020.332582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.030015 (E_RNA) where: Base-Base interactions energy: -69.384 where: short stacking energy: -28.772 Base-Backbone interact. energy: -0.000 local terms energy: -28.645511 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -4.457 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -6.294 Dist. restrs. and SS energy: -12922.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -12833.469985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12833.469985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.533864 (E_RNA) where: Base-Base interactions energy: -61.258 where: short stacking energy: -27.861 Base-Backbone interact. energy: -0.470 local terms energy: -27.805878 where: bonds (distance) C4'-P energy: -6.157 bonds (distance) P-C4' energy: -4.990 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: -12743.936 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -13015.844123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13015.844123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.235995 (E_RNA) where: Base-Base interactions energy: -52.419 where: short stacking energy: -17.423 Base-Backbone interact. energy: -0.100 local terms energy: -23.717131 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -1.659 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: -12939.608 (S_DIST_RNA) chem. 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: -12956.954093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12956.954093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.132100 (E_RNA) where: Base-Base interactions energy: -50.849 where: short stacking energy: -21.705 Base-Backbone interact. energy: -1.436 local terms energy: -30.846924 where: bonds (distance) C4'-P energy: -7.165 bonds (distance) P-C4' energy: -7.578 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: -12873.822 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -20236.056009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20236.056009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.871712 (E_RNA) where: Base-Base interactions energy: -66.063 where: short stacking energy: -28.972 Base-Backbone interact. energy: -0.865 local terms energy: -30.943601 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -7.525 Dist. restrs. and SS energy: -20138.184 (S_DIST_RNA) chem. 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: -13183.524595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13183.524595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.488450 (E_RNA) where: Base-Base interactions energy: -68.391 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.246 local terms energy: -25.851247 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -1.071 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: -13089.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -13003.807966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13003.807966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.800726 (E_RNA) where: Base-Base interactions energy: -60.917 where: short stacking energy: -27.395 Base-Backbone interact. energy: 0.611 local terms energy: -29.494625 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -2.542 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: -12914.007 (S_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: 87 Temperature: 1.050000 Total energy: -12991.990867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12991.990867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.142722 (E_RNA) where: Base-Base interactions energy: -60.056 where: short stacking energy: -25.567 Base-Backbone interact. energy: -0.038 local terms energy: -29.048088 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -0.272 tors. eta vs tors. theta energy: -8.082 Dist. restrs. and SS energy: -12902.848 (S_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: 87 Temperature: 1.100000 Total energy: -12941.487378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12941.487378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.020059 (E_RNA) where: Base-Base interactions energy: -62.604 where: short stacking energy: -26.556 Base-Backbone interact. energy: 0.235 local terms energy: -27.650709 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: -12851.467 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -13141.741064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13141.741064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.856319 (E_RNA) where: Base-Base interactions energy: -56.730 where: short stacking energy: -26.886 Base-Backbone interact. energy: -0.220 local terms energy: -32.905748 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: -13051.885 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -13021.894961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13021.894961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.211725 (E_RNA) where: Base-Base interactions energy: -64.114 where: short stacking energy: -16.881 Base-Backbone interact. energy: -0.044 local terms energy: -28.054224 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: -12929.683 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -13161.781698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13161.781698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.377643 (E_RNA) where: Base-Base interactions energy: -57.926 where: short stacking energy: -16.034 Base-Backbone interact. energy: -0.064 local terms energy: -26.387148 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: -13077.404 (S_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: 87 Temperature: 1.300000 Total energy: -12976.216588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -12976.216588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.005208 (E_RNA) where: Base-Base interactions energy: -60.487 where: short stacking energy: -18.310 Base-Backbone interact. energy: 0.094 local terms energy: -27.612306 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.940 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: -12888.211 (S_DIST_RNA) chem. 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: -13146.032808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13146.032808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.406620 (E_RNA) where: Base-Base interactions energy: -59.490 where: short stacking energy: -23.693 Base-Backbone interact. energy: -0.488 local terms energy: -29.428876 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: -13056.626 (S_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: 88 Temperature: 0.900000 Total energy: -20328.790650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20328.790650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.196358 (E_RNA) where: Base-Base interactions energy: -78.011 where: short stacking energy: -30.620 Base-Backbone interact. energy: -0.001 local terms energy: -32.184899 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: -20218.594 (S_DIST_RNA) chem. 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: -13417.997842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13417.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.004864 (E_RNA) where: Base-Base interactions energy: -70.450 where: short stacking energy: -26.063 Base-Backbone interact. energy: -0.715 local terms energy: -25.840166 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: -13320.993 (S_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: 88 Temperature: 1.000000 Total energy: -13125.501743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13125.501743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.411226 (E_RNA) where: Base-Base interactions energy: -61.683 where: short stacking energy: -23.308 Base-Backbone interact. energy: -0.493 local terms energy: -33.234943 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -7.194 Dist. restrs. and SS energy: -13030.091 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -13133.903859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13133.903859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.681308 (E_RNA) where: Base-Base interactions energy: -65.996 where: short stacking energy: -26.892 Base-Backbone interact. energy: -0.002 local terms energy: -33.683115 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -7.468 Dist. restrs. and SS energy: -13034.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -13243.041377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13243.041377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.885279 (E_RNA) where: Base-Base interactions energy: -65.813 where: short stacking energy: -33.578 Base-Backbone interact. energy: -0.001 local terms energy: -24.071230 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -1.331 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: -13153.156 (S_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: 88 Temperature: 1.150000 Total energy: -13096.258024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13096.258024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.046219 (E_RNA) where: Base-Base interactions energy: -60.665 where: short stacking energy: -33.351 Base-Backbone interact. energy: -0.000 local terms energy: -34.380417 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -4.315 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -9.804 Dist. restrs. and SS energy: -13001.212 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -13313.982125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13313.982125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.758807 (E_RNA) where: Base-Base interactions energy: -69.127 where: short stacking energy: -34.100 Base-Backbone interact. energy: -0.001 local terms energy: -24.631395 where: bonds (distance) C4'-P energy: -2.596 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -1.413 tors. eta vs tors. theta energy: -6.239 Dist. restrs. and SS energy: -13220.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -13188.816745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13188.816745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.612794 (E_RNA) where: Base-Base interactions energy: -62.677 where: short stacking energy: -32.290 Base-Backbone interact. energy: -0.710 local terms energy: -30.225930 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -7.188 Dist. restrs. and SS energy: -13095.204 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -13349.529100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13349.529100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.132391 (E_RNA) where: Base-Base interactions energy: -63.043 where: short stacking energy: -24.047 Base-Backbone interact. energy: -0.280 local terms energy: -34.809682 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -6.665 Dist. restrs. and SS energy: -13251.397 (S_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: 88 Temperature: 1.350000 Total energy: -13152.979143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13152.979143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.859156 (E_RNA) where: Base-Base interactions energy: -44.359 where: short stacking energy: -17.371 Base-Backbone interact. energy: 1.579 local terms energy: -29.078886 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.346 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -4.673 Dist. restrs. and SS energy: -13081.120 (S_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: 89 Temperature: 0.900000 Total energy: -20431.624783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20431.624783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.490769 (E_RNA) where: Base-Base interactions energy: -60.962 where: short stacking energy: -19.115 Base-Backbone interact. energy: -0.000 local terms energy: -31.528988 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -6.827 Dist. restrs. and SS energy: -20339.134 (S_DIST_RNA) chem. 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: -13862.994870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13862.994870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.899146 (E_RNA) where: Base-Base interactions energy: -65.078 where: short stacking energy: -22.450 Base-Backbone interact. energy: -0.064 local terms energy: -28.756411 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: -13769.096 (S_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: 89 Temperature: 1.000000 Total energy: -13207.443029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13207.443029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.024140 (E_RNA) where: Base-Base interactions energy: -69.688 where: short stacking energy: -25.052 Base-Backbone interact. energy: -0.001 local terms energy: -27.335564 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: -13110.419 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -13368.144869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13368.144869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.641107 (E_RNA) where: Base-Base interactions energy: -62.055 where: short stacking energy: -33.553 Base-Backbone interact. energy: -0.652 local terms energy: -35.934952 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -9.961 Dist. restrs. and SS energy: -13269.504 (S_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: 89 Temperature: 1.100000 Total energy: -13238.723962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13238.723962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.724190 (E_RNA) where: Base-Base interactions energy: -65.527 where: short stacking energy: -29.466 Base-Backbone interact. energy: -0.048 local terms energy: -27.148486 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: -13146.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -13483.719167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13483.719167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.492707 (E_RNA) where: Base-Base interactions energy: -64.451 where: short stacking energy: -26.198 Base-Backbone interact. energy: -0.042 local terms energy: -23.000370 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.014 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: -13396.226 (S_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: 89 Temperature: 1.200000 Total energy: -13237.624141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13237.624141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.756867 (E_RNA) where: Base-Base interactions energy: -51.313 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.000 local terms energy: -26.443863 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: -13159.867 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -13525.594553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13525.594553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.191683 (E_RNA) where: Base-Base interactions energy: -66.297 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.415 local terms energy: -29.480267 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: -13429.403 (S_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: 89 Temperature: 1.300000 Total energy: -13362.198395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13362.198395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.000926 (E_RNA) where: Base-Base interactions energy: -60.560 where: short stacking energy: -32.439 Base-Backbone interact. energy: -0.087 local terms energy: -33.353310 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.920 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: -13268.197 (S_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: 89 Temperature: 1.350000 Total energy: -13319.654998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13319.654998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.404087 (E_RNA) where: Base-Base interactions energy: -47.800 where: short stacking energy: -23.039 Base-Backbone interact. energy: -0.986 local terms energy: -29.618046 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: -13241.251 (S_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: 90 Temperature: 0.900000 Total energy: -20515.233205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20515.233205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.489849 (E_RNA) where: Base-Base interactions energy: -68.448 where: short stacking energy: -30.720 Base-Backbone interact. energy: -0.001 local terms energy: -29.040442 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -7.095 Dist. restrs. and SS energy: -20417.743 (S_DIST_RNA) chem. 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: -14322.699608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14322.699608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.565690 (E_RNA) where: Base-Base interactions energy: -66.367 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.754 local terms energy: -32.444596 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -2.146 tors. eta vs tors. theta energy: -6.511 Dist. restrs. and SS energy: -14223.134 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -13471.228851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13471.228851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.766551 (E_RNA) where: Base-Base interactions energy: -64.545 where: short stacking energy: -28.361 Base-Backbone interact. energy: 0.610 local terms energy: -30.831337 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: -13376.462 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -13330.373234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13330.373234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.975214 (E_RNA) where: Base-Base interactions energy: -64.600 where: short stacking energy: -20.311 Base-Backbone interact. energy: -0.100 local terms energy: -24.275077 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.040 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -1.239 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: -13241.398 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -13578.622985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13578.622985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.892296 (E_RNA) where: Base-Base interactions energy: -69.117 where: short stacking energy: -20.173 Base-Backbone interact. energy: -0.001 local terms energy: -28.774357 where: bonds (distance) C4'-P energy: -8.425 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: -13480.731 (S_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: -13369.676999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13369.676999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.089631 (E_RNA) where: Base-Base interactions energy: -65.333 where: short stacking energy: -29.824 Base-Backbone interact. energy: -0.000 local terms energy: -29.755995 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.426 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -0.418 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: -13274.587 (S_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: 90 Temperature: 1.200000 Total energy: -13668.962552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13668.962552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.428263 (E_RNA) where: Base-Base interactions energy: -60.166 where: short stacking energy: -23.390 Base-Backbone interact. energy: -0.206 local terms energy: -22.055570 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -0.389 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: -13586.534 (S_DIST_RNA) chem. 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: -13438.163513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13438.163513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.526255 (E_RNA) where: Base-Base interactions energy: -58.413 where: short stacking energy: -29.885 Base-Backbone interact. energy: -0.001 local terms energy: -33.112442 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: -13346.637 (S_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: 90 Temperature: 1.300000 Total energy: -13512.349237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13512.349237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.357616 (E_RNA) where: Base-Base interactions energy: -56.831 where: short stacking energy: -25.680 Base-Backbone interact. energy: -0.289 local terms energy: -28.237678 where: bonds (distance) C4'-P energy: -1.809 bonds (distance) P-C4' energy: -5.953 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -9.071 Dist. restrs. and SS energy: -13426.992 (S_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: 90 Temperature: 1.350000 Total energy: -13540.430568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13540.430568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.408538 (E_RNA) where: Base-Base interactions energy: -57.582 where: short stacking energy: -26.346 Base-Backbone interact. energy: -1.566 local terms energy: -33.260977 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.444 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: -13448.022 (S_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: 91 Temperature: 0.900000 Total energy: -20615.009121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20615.009121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.432104 (E_RNA) where: Base-Base interactions energy: -69.580 where: short stacking energy: -35.896 Base-Backbone interact. energy: -0.850 local terms energy: -36.001666 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: -20508.577 (S_DIST_RNA) chem. 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: -14747.662876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14747.662876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.505199 (E_RNA) where: Base-Base interactions energy: -66.827 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.017 local terms energy: -29.661322 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -0.044 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: -14651.158 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -13587.626656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13587.626656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.579649 (E_RNA) where: Base-Base interactions energy: -68.608 where: short stacking energy: -29.163 Base-Backbone interact. energy: -0.003 local terms energy: -37.968672 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -7.937 Dist. restrs. and SS energy: -13481.047 (S_DIST_RNA) chem. 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: -13679.995337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13679.995337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.205434 (E_RNA) where: Base-Base interactions energy: -64.824 where: short stacking energy: -26.391 Base-Backbone interact. energy: 1.440 local terms energy: -26.821945 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -3.338 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -6.665 Dist. restrs. and SS energy: -13589.790 (S_DIST_RNA) chem. 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: -13466.546285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13466.546285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.144447 (E_RNA) where: Base-Base interactions energy: -60.940 where: short stacking energy: -26.812 Base-Backbone interact. energy: 0.945 local terms energy: -31.149537 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -1.477 tors. eta vs tors. theta energy: -5.457 Dist. restrs. and SS energy: -13375.402 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -13848.576009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13848.576009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.360738 (E_RNA) where: Base-Base interactions energy: -64.307 where: short stacking energy: -32.191 Base-Backbone interact. energy: -0.000 local terms energy: -30.053733 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -8.358 Dist. restrs. and SS energy: -13754.215 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -13547.719906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13547.719906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.610176 (E_RNA) where: Base-Base interactions energy: -62.111 where: short stacking energy: -28.573 Base-Backbone interact. energy: -0.000 local terms energy: -27.498886 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: -13458.110 (S_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: 91 Temperature: 1.250000 Total energy: -13641.206221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13641.206221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.434999 (E_RNA) where: Base-Base interactions energy: -47.567 where: short stacking energy: -18.996 Base-Backbone interact. energy: 1.008 local terms energy: -31.875855 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: -13562.771 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -13574.607922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13574.607922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.388544 (E_RNA) where: Base-Base interactions energy: -62.093 where: short stacking energy: -13.789 Base-Backbone interact. energy: 1.965 local terms energy: -25.260498 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: -13489.219 (S_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: 91 Temperature: 1.350000 Total energy: -13723.361672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13723.361672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.132726 (E_RNA) where: Base-Base interactions energy: -62.541 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.061 local terms energy: -23.530160 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: -13637.229 (S_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: 92 Temperature: 0.900000 Total energy: -20725.838903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20725.838903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.887154 (E_RNA) where: Base-Base interactions energy: -60.696 where: short stacking energy: -21.602 Base-Backbone interact. energy: -0.001 local terms energy: -25.190161 where: bonds (distance) C4'-P energy: -3.357 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: -20639.952 (S_DIST_RNA) chem. 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: -15137.363966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15137.363966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.063969 (E_RNA) where: Base-Base interactions energy: -60.938 where: short stacking energy: -24.021 Base-Backbone interact. energy: -0.082 local terms energy: -31.043844 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: -15045.300 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -13801.599974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13801.599974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.339187 (E_RNA) where: Base-Base interactions energy: -63.096 where: short stacking energy: -29.199 Base-Backbone interact. energy: -0.049 local terms energy: -31.194656 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -5.735 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -9.276 Dist. restrs. and SS energy: -13707.261 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -13699.700613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13699.700613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.135173 (E_RNA) where: Base-Base interactions energy: -64.562 where: short stacking energy: -32.111 Base-Backbone interact. energy: -0.000 local terms energy: -32.573361 where: bonds (distance) C4'-P energy: -3.647 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -9.683 Dist. restrs. and SS energy: -13602.565 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -13989.040767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13989.040767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.611069 (E_RNA) where: Base-Base interactions energy: -58.611 where: short stacking energy: -27.436 Base-Backbone interact. energy: -0.001 local terms energy: -32.998328 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: -13897.430 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -13594.290939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13594.290939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.940022 (E_RNA) where: Base-Base interactions energy: -69.378 where: short stacking energy: -24.622 Base-Backbone interact. energy: -0.008 local terms energy: -23.554213 where: bonds (distance) C4'-P energy: -1.461 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: -13501.351 (S_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: 92 Temperature: 1.200000 Total energy: -13780.162530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13780.162530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.877043 (E_RNA) where: Base-Base interactions energy: -64.942 where: short stacking energy: -24.998 Base-Backbone interact. energy: -0.000 local terms energy: -24.934147 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: 2.948 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: -13690.285 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -13730.671618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13730.671618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.764256 (E_RNA) where: Base-Base interactions energy: -58.178 where: short stacking energy: -24.987 Base-Backbone interact. energy: -0.020 local terms energy: -30.565684 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: -13641.907 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -13928.469202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13928.469202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.419848 (E_RNA) where: Base-Base interactions energy: -67.780 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.003 local terms energy: -27.636611 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: -13833.049 (S_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: 92 Temperature: 1.350000 Total energy: -13717.503493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13717.503493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.802303 (E_RNA) where: Base-Base interactions energy: -65.103 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.005 local terms energy: -22.693944 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.494 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: -13629.701 (S_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: 93 Temperature: 0.900000 Total energy: -20830.982857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20830.982857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.386690 (E_RNA) where: Base-Base interactions energy: -67.461 where: short stacking energy: -22.293 Base-Backbone interact. energy: -0.001 local terms energy: -32.925375 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: -20730.596 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -15244.572923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15244.572923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.786621 (E_RNA) where: Base-Base interactions energy: -64.898 where: short stacking energy: -23.862 Base-Backbone interact. energy: -0.011 local terms energy: -27.877686 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: -15151.786 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -13903.120812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13903.120812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.289269 (E_RNA) where: Base-Base interactions energy: -64.494 where: short stacking energy: -27.619 Base-Backbone interact. energy: -0.004 local terms energy: -35.791065 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -7.303 Dist. restrs. and SS energy: -13802.832 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -14101.551783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14101.551783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.750947 (E_RNA) where: Base-Base interactions energy: -66.193 where: short stacking energy: -26.398 Base-Backbone interact. energy: -0.002 local terms energy: -34.555452 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: -14000.801 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -13802.044390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13802.044390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.766341 (E_RNA) where: Base-Base interactions energy: -64.020 where: short stacking energy: -19.926 Base-Backbone interact. energy: -0.051 local terms energy: -26.695320 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: -13711.278 (S_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: 93 Temperature: 1.150000 Total energy: -13916.401838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13916.401838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.306823 (E_RNA) where: Base-Base interactions energy: -64.378 where: short stacking energy: -33.359 Base-Backbone interact. energy: -0.001 local terms energy: -29.927778 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -5.252 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -9.007 Dist. restrs. and SS energy: -13822.095 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -13722.997531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13722.997531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.379597 (E_RNA) where: Base-Base interactions energy: -58.827 where: short stacking energy: -24.347 Base-Backbone interact. energy: -0.040 local terms energy: -26.513192 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: -13637.618 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -14067.223073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14067.223073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.913743 (E_RNA) where: Base-Base interactions energy: -55.762 where: short stacking energy: -23.216 Base-Backbone interact. energy: -0.038 local terms energy: -31.113347 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -1.600 tors. eta vs tors. theta energy: -5.732 Dist. restrs. and SS energy: -13980.309 (S_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: 93 Temperature: 1.300000 Total energy: -13868.783907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13868.783907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.616786 (E_RNA) where: Base-Base interactions energy: -53.917 where: short stacking energy: -19.249 Base-Backbone interact. energy: -0.003 local terms energy: -32.696531 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: -13782.167 (S_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: 93 Temperature: 1.350000 Total energy: -13893.175024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13893.175024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.794937 (E_RNA) where: Base-Base interactions energy: -53.237 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.032 local terms energy: -25.525968 where: bonds (distance) C4'-P energy: -5.870 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: -13814.380 (S_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: 94 Temperature: 0.900000 Total energy: -20934.441970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20934.441970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.784005 (E_RNA) where: Base-Base interactions energy: -77.610 where: short stacking energy: -25.300 Base-Backbone interact. energy: -0.034 local terms energy: -27.140030 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.128 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -7.402 Dist. restrs. and SS energy: -20829.658 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -15335.971943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15335.971943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.562236 (E_RNA) where: Base-Base interactions energy: -65.041 where: short stacking energy: -20.060 Base-Backbone interact. energy: 0.147 local terms energy: -30.668598 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: -15240.410 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -14208.783759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14208.783759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.881270 (E_RNA) where: Base-Base interactions energy: -61.159 where: short stacking energy: -30.180 Base-Backbone interact. energy: -0.001 local terms energy: -32.720634 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: -14114.902 (S_DIST_RNA) chem. 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: -13967.307815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13967.307815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.161542 (E_RNA) where: Base-Base interactions energy: -66.605 where: short stacking energy: -28.067 Base-Backbone interact. energy: -0.002 local terms energy: -34.554447 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: -13866.146 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -14054.987457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14054.987457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.958826 (E_RNA) where: Base-Base interactions energy: -67.725 where: short stacking energy: -33.804 Base-Backbone interact. energy: -0.141 local terms energy: -33.092796 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: -13954.029 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -13919.440917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13919.440917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.896015 (E_RNA) where: Base-Base interactions energy: -63.846 where: short stacking energy: -23.869 Base-Backbone interact. energy: -0.001 local terms energy: -31.048889 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -1.577 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: -13824.545 (S_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: 94 Temperature: 1.200000 Total energy: -14214.882777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14214.882777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.076347 (E_RNA) where: Base-Base interactions energy: -69.091 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.000 local terms energy: -31.985217 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: -14113.806 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -13865.643893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -13865.643893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.502216 (E_RNA) where: Base-Base interactions energy: -58.917 where: short stacking energy: -30.490 Base-Backbone interact. energy: -0.123 local terms energy: -27.462133 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -7.042 Dist. restrs. and SS energy: -13779.142 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -14164.466046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14164.466046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.755023 (E_RNA) where: Base-Base interactions energy: -52.582 where: short stacking energy: -22.897 Base-Backbone interact. energy: -0.004 local terms energy: -21.168495 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -5.977 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: -14090.711 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -14054.647942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14054.647942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.108829 (E_RNA) where: Base-Base interactions energy: -61.020 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.910 local terms energy: -28.178368 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -7.198 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: -13964.539 (S_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: 95 Temperature: 0.900000 Total energy: -21041.382610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21041.382610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.315223 (E_RNA) where: Base-Base interactions energy: -69.907 where: short stacking energy: -34.468 Base-Backbone interact. energy: -0.001 local terms energy: -33.407466 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: -20938.067 (S_DIST_RNA) chem. 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: -15430.205192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15430.205192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.747840 (E_RNA) where: Base-Base interactions energy: -64.962 where: short stacking energy: -20.121 Base-Backbone interact. energy: -0.109 local terms energy: -30.676894 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: -15334.457 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -14290.903478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14290.903478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.356850 (E_RNA) where: Base-Base interactions energy: -68.520 where: short stacking energy: -24.184 Base-Backbone interact. energy: -0.018 local terms energy: -29.819009 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: -14192.547 (S_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: 95 Temperature: 1.050000 Total energy: -14174.598523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14174.598523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.009016 (E_RNA) where: Base-Base interactions energy: -66.406 where: short stacking energy: -29.430 Base-Backbone interact. energy: -0.238 local terms energy: -32.364736 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -8.927 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -6.831 Dist. restrs. and SS energy: -14075.590 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -14087.015542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14087.015542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.065572 (E_RNA) where: Base-Base interactions energy: -61.161 where: short stacking energy: -29.931 Base-Backbone interact. energy: -0.000 local terms energy: -32.904344 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -7.330 Dist. restrs. and SS energy: -13992.950 (S_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: 95 Temperature: 1.150000 Total energy: -14358.485090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14358.485090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.047386 (E_RNA) where: Base-Base interactions energy: -58.900 where: short stacking energy: -22.076 Base-Backbone interact. energy: -0.001 local terms energy: -32.146569 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -7.782 Dist. restrs. and SS energy: -14267.438 (S_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: -14061.610519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14061.610519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.313167 (E_RNA) where: Base-Base interactions energy: -61.605 where: short stacking energy: -26.645 Base-Backbone interact. energy: -0.004 local terms energy: -30.704467 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: -13969.297 (S_DIST_RNA) chem. 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: -14379.331533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14379.331533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.598550 (E_RNA) where: Base-Base interactions energy: -60.280 where: short stacking energy: -25.283 Base-Backbone interact. energy: -0.090 local terms energy: -27.228848 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -1.363 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: -14291.733 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -14224.873107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14224.873107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.490395 (E_RNA) where: Base-Base interactions energy: -64.646 where: short stacking energy: -25.913 Base-Backbone interact. energy: -0.009 local terms energy: -30.835989 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: -14129.383 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -14206.224982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14206.224982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.783259 (E_RNA) where: Base-Base interactions energy: -60.945 where: short stacking energy: -31.000 Base-Backbone interact. energy: -1.058 local terms energy: -33.780947 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: -14110.442 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -21132.527239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21132.527239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.212419 (E_RNA) where: Base-Base interactions energy: -68.688 where: short stacking energy: -23.733 Base-Backbone interact. energy: -0.705 local terms energy: -31.820285 where: bonds (distance) C4'-P energy: -7.456 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: -21031.315 (S_DIST_RNA) chem. 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: -15490.553260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15490.553260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.091011 (E_RNA) where: Base-Base interactions energy: -60.096 where: short stacking energy: -21.650 Base-Backbone interact. energy: -0.014 local terms energy: -29.980285 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: -15400.462 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -14417.071766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14417.071766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.637945 (E_RNA) where: Base-Base interactions energy: -64.331 where: short stacking energy: -22.632 Base-Backbone interact. energy: -0.024 local terms energy: -33.282515 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -6.258 Dist. restrs. and SS energy: -14319.434 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -14279.311684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14279.311684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.797238 (E_RNA) where: Base-Base interactions energy: -58.545 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.575 local terms energy: -31.677535 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -1.739 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: -14188.514 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -14482.774065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14482.774065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.418757 (E_RNA) where: Base-Base interactions energy: -56.969 where: short stacking energy: -22.822 Base-Backbone interact. energy: -0.897 local terms energy: -29.553322 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: -14395.355 (S_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: 96 Temperature: 1.150000 Total energy: -14234.423569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14234.423569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.789584 (E_RNA) where: Base-Base interactions energy: -63.792 where: short stacking energy: -28.247 Base-Backbone interact. energy: -0.504 local terms energy: -25.492780 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -2.778 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -7.820 Dist. restrs. and SS energy: -14144.634 (S_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: 96 Temperature: 1.200000 Total energy: -14614.175270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14614.175270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.153053 (E_RNA) where: Base-Base interactions energy: -60.204 where: short stacking energy: -24.091 Base-Backbone interact. energy: -0.047 local terms energy: -20.902037 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: -14533.022 (S_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: 96 Temperature: 1.250000 Total energy: -14227.357143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14227.357143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.547068 (E_RNA) where: Base-Base interactions energy: -66.362 where: short stacking energy: -22.948 Base-Backbone interact. energy: -0.021 local terms energy: -28.163743 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: -14132.810 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -14421.313764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14421.313764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.320868 (E_RNA) where: Base-Base interactions energy: -58.256 where: short stacking energy: -22.260 Base-Backbone interact. energy: 0.612 local terms energy: -24.676873 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: -14338.993 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -14378.019332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14378.019332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.194125 (E_RNA) where: Base-Base interactions energy: -52.285 where: short stacking energy: -25.073 Base-Backbone interact. energy: -0.103 local terms energy: -31.806233 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: -14293.825 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -21184.454263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21184.454263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.284027 (E_RNA) where: Base-Base interactions energy: -64.945 where: short stacking energy: -26.519 Base-Backbone interact. energy: -0.024 local terms energy: -36.314915 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: -21083.170 (S_DIST_RNA) chem. 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: -15585.326371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15585.326371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.252148 (E_RNA) where: Base-Base interactions energy: -60.797 where: short stacking energy: -24.522 Base-Backbone interact. energy: -0.003 local terms energy: -27.451608 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: -15497.074 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -14501.040114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14501.040114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.556319 (E_RNA) where: Base-Base interactions energy: -65.820 where: short stacking energy: -29.154 Base-Backbone interact. energy: -0.001 local terms energy: -28.735577 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -6.450 Dist. restrs. and SS energy: -14406.484 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -14572.021278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14572.021278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.174602 (E_RNA) where: Base-Base interactions energy: -65.502 where: short stacking energy: -26.544 Base-Backbone interact. energy: -0.686 local terms energy: -26.986327 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -0.182 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: -14478.847 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -14424.766173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14424.766173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.908677 (E_RNA) where: Base-Base interactions energy: -57.865 where: short stacking energy: -28.422 Base-Backbone interact. energy: -0.111 local terms energy: -30.932458 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: -14335.857 (S_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: 97 Temperature: 1.150000 Total energy: -14883.297812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14883.297812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.844956 (E_RNA) where: Base-Base interactions energy: -55.522 where: short stacking energy: -23.533 Base-Backbone interact. energy: -0.115 local terms energy: -32.207775 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: -14795.453 (S_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: 97 Temperature: 1.200000 Total energy: -14418.431112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14418.431112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.076142 (E_RNA) where: Base-Base interactions energy: -58.220 where: short stacking energy: -22.742 Base-Backbone interact. energy: -0.142 local terms energy: -31.714748 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: -14328.355 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -14628.564673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14628.564673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.264675 (E_RNA) where: Base-Base interactions energy: -50.280 where: short stacking energy: -23.767 Base-Backbone interact. energy: -0.012 local terms energy: -24.972490 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: -14553.300 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -14383.051992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14383.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.956862 (E_RNA) where: Base-Base interactions energy: -60.668 where: short stacking energy: -23.103 Base-Backbone interact. energy: -0.178 local terms energy: -12.111123 where: bonds (distance) C4'-P energy: 2.059 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -2.452 flat angles P-C4'-P energy: -1.254 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: -14310.095 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -14612.953803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14612.953803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.117684 (E_RNA) where: Base-Base interactions energy: -50.659 where: short stacking energy: -24.677 Base-Backbone interact. energy: -0.001 local terms energy: -29.458000 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: -14532.836 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -21264.580813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21264.580813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.977571 (E_RNA) where: Base-Base interactions energy: -69.386 where: short stacking energy: -27.787 Base-Backbone interact. energy: -0.030 local terms energy: -35.561033 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: -21159.603 (S_DIST_RNA) chem. 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: -15653.203291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15653.203291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.374805 (E_RNA) where: Base-Base interactions energy: -72.458 where: short stacking energy: -22.212 Base-Backbone interact. energy: -0.005 local terms energy: -27.911780 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -1.949 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: -15552.828 (S_DIST_RNA) chem. 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: -14664.900362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14664.900362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.810108 (E_RNA) where: Base-Base interactions energy: -62.491 where: short stacking energy: -23.967 Base-Backbone interact. energy: -0.000 local terms energy: -34.318935 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -6.940 Dist. restrs. and SS energy: -14568.090 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -14618.018314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14618.018314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.946794 (E_RNA) where: Base-Base interactions energy: -63.127 where: short stacking energy: -25.559 Base-Backbone interact. energy: -0.729 local terms energy: -30.090585 where: bonds (distance) C4'-P energy: -4.119 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -5.642 Dist. restrs. and SS energy: -14524.072 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -15082.301990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15082.301990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.162864 (E_RNA) where: Base-Base interactions energy: -53.091 where: short stacking energy: -22.360 Base-Backbone interact. energy: 0.261 local terms energy: -26.332785 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: -15003.139 (S_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: 98 Temperature: 1.150000 Total energy: -14599.933411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14599.933411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.115696 (E_RNA) where: Base-Base interactions energy: -56.205 where: short stacking energy: -30.907 Base-Backbone interact. energy: -0.002 local terms energy: -34.908885 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -5.762 Dist. restrs. and SS energy: -14508.818 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -14789.727423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14789.727423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.976400 (E_RNA) where: Base-Base interactions energy: -63.039 where: short stacking energy: -29.454 Base-Backbone interact. energy: -0.001 local terms energy: -36.936329 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -9.573 Dist. restrs. and SS energy: -14689.751 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -14567.052635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14567.052635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.687094 (E_RNA) where: Base-Base interactions energy: -60.502 where: short stacking energy: -28.873 Base-Backbone interact. energy: -0.002 local terms energy: -28.182723 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: -14478.366 (S_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: 98 Temperature: 1.300000 Total energy: -14864.437548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14864.437548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.020262 (E_RNA) where: Base-Base interactions energy: -73.236 where: short stacking energy: -23.822 Base-Backbone interact. energy: -0.032 local terms energy: -28.752347 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: -14762.417 (S_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: 98 Temperature: 1.350000 Total energy: -14623.870152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14623.870152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.517622 (E_RNA) where: Base-Base interactions energy: -39.990 where: short stacking energy: -15.370 Base-Backbone interact. energy: -0.113 local terms energy: -19.415374 where: bonds (distance) C4'-P energy: -3.478 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -2.007 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: -14564.353 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -21353.786473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21353.786473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.713470 (E_RNA) where: Base-Base interactions energy: -70.162 where: short stacking energy: -34.325 Base-Backbone interact. energy: -0.000 local terms energy: -29.551674 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -1.175 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: -21254.073 (S_DIST_RNA) chem. 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: -15743.796840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15743.796840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.247240 (E_RNA) where: Base-Base interactions energy: -57.655 where: short stacking energy: -22.072 Base-Backbone interact. energy: -0.067 local terms energy: -31.524869 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: -15654.550 (S_DIST_RNA) chem. 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: -14778.164807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14778.164807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.078462 (E_RNA) where: Base-Base interactions energy: -64.818 where: short stacking energy: -29.737 Base-Backbone interact. energy: -0.000 local terms energy: -29.260364 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -0.756 tors. eta vs tors. theta energy: -5.590 Dist. restrs. and SS energy: -14684.086 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -15353.602013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15353.602013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.833787 (E_RNA) where: Base-Base interactions energy: -54.135 where: short stacking energy: -24.020 Base-Backbone interact. energy: 1.014 local terms energy: -23.712187 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -5.865 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: -15276.768 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -14746.662146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14746.662146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.117125 (E_RNA) where: Base-Base interactions energy: -58.489 where: short stacking energy: -25.472 Base-Backbone interact. energy: -0.242 local terms energy: -31.386668 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: -14656.545 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -14917.356518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14917.356518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.178377 (E_RNA) where: Base-Base interactions energy: -64.898 where: short stacking energy: -25.539 Base-Backbone interact. energy: -0.004 local terms energy: -24.275433 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -1.508 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: -14828.178 (S_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: 99 Temperature: 1.200000 Total energy: -14796.892077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14796.892077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.327209 (E_RNA) where: Base-Base interactions energy: -54.373 where: short stacking energy: -19.611 Base-Backbone interact. energy: -0.125 local terms energy: -35.828282 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: -14706.565 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -15219.412978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15219.412978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.516522 (E_RNA) where: Base-Base interactions energy: -62.386 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.028 local terms energy: -23.102688 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -2.080 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -1.311 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: -15133.896 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -14740.053026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14740.053026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.609394 (E_RNA) where: Base-Base interactions energy: -58.493 where: short stacking energy: -19.968 Base-Backbone interact. energy: -0.879 local terms energy: -27.237600 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: -14653.444 (S_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: 99 Temperature: 1.350000 Total energy: -14796.043112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14796.043112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.870878 (E_RNA) where: Base-Base interactions energy: -50.716 where: short stacking energy: -24.055 Base-Backbone interact. energy: -0.091 local terms energy: -24.064543 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -2.348 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -6.280 Dist. restrs. and SS energy: -14721.172 (S_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: 100 Temperature: 0.900000 Total energy: -21454.573217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21454.573217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.064019 (E_RNA) where: Base-Base interactions energy: -63.666 where: short stacking energy: -32.119 Base-Backbone interact. energy: -1.199 local terms energy: -32.199473 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -8.155 Dist. restrs. and SS energy: -21357.509 (S_DIST_RNA) chem. 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: -15848.555647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15848.555647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.070140 (E_RNA) where: Base-Base interactions energy: -65.547 where: short stacking energy: -30.260 Base-Backbone interact. energy: -1.189 local terms energy: -32.334538 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: -15749.486 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -15537.514649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15537.514649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.795004 (E_RNA) where: Base-Base interactions energy: -59.745 where: short stacking energy: -20.319 Base-Backbone interact. energy: -0.067 local terms energy: -28.983419 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: -15448.720 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -14876.909744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14876.909744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.522560 (E_RNA) where: Base-Base interactions energy: -64.190 where: short stacking energy: -27.904 Base-Backbone interact. energy: -0.003 local terms energy: -32.329558 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: -14780.387 (S_DIST_RNA) chem. 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: -15044.174075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15044.174075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.515647 (E_RNA) where: Base-Base interactions energy: -62.901 where: short stacking energy: -30.457 Base-Backbone interact. energy: -0.001 local terms energy: -36.613561 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.843 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: -14944.658 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -14891.419787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14891.419787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.779006 (E_RNA) where: Base-Base interactions energy: -61.229 where: short stacking energy: -23.521 Base-Backbone interact. energy: -0.293 local terms energy: -23.256966 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: 0.144 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: -14806.641 (S_DIST_RNA) chem. 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: -15625.929121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15625.929121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.412017 (E_RNA) where: Base-Base interactions energy: -54.786 where: short stacking energy: -23.972 Base-Backbone interact. energy: -0.075 local terms energy: -22.550666 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -4.725 Dist. restrs. and SS energy: -15548.517 (S_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: 100 Temperature: 1.250000 Total energy: -14961.564384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14961.564384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.206186 (E_RNA) where: Base-Base interactions energy: -66.569 where: short stacking energy: -35.788 Base-Backbone interact. energy: -0.000 local terms energy: -30.637023 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -9.169 Dist. restrs. and SS energy: -14864.358 (S_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: 100 Temperature: 1.300000 Total energy: -15035.683769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15035.683769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.151999 (E_RNA) where: Base-Base interactions energy: -59.032 where: short stacking energy: -26.902 Base-Backbone interact. energy: -0.020 local terms energy: -23.100461 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: -14953.532 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -14900.603158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -14900.603158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.668407 (E_RNA) where: Base-Base interactions energy: -62.250 where: short stacking energy: -20.569 Base-Backbone interact. energy: -0.043 local terms energy: -30.375201 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: -14807.935 (S_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: 101 Temperature: 0.900000 Total energy: -21562.490000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21562.490000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.565747 (E_RNA) where: Base-Base interactions energy: -67.987 where: short stacking energy: -36.523 Base-Backbone interact. energy: -0.000 local terms energy: -36.578212 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -9.572 Dist. restrs. and SS energy: -21457.924 (S_DIST_RNA) chem. 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: -15942.248830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15942.248830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.042055 (E_RNA) where: Base-Base interactions energy: -61.815 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.180 local terms energy: -33.046990 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: -15847.207 (S_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: 101 Temperature: 1.000000 Total energy: -15657.266342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15657.266342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.464607 (E_RNA) where: Base-Base interactions energy: -67.980 where: short stacking energy: -29.459 Base-Backbone interact. energy: -0.031 local terms energy: -31.454017 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -0.725 tors. eta vs tors. theta energy: -8.126 Dist. restrs. and SS energy: -15557.802 (S_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: 101 Temperature: 1.050000 Total energy: -15159.999467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15159.999467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.642419 (E_RNA) where: Base-Base interactions energy: -70.352 where: short stacking energy: -31.845 Base-Backbone interact. energy: -0.000 local terms energy: -33.289924 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: -15056.357 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -15008.457741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15008.457741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.575089 (E_RNA) where: Base-Base interactions energy: -60.297 where: short stacking energy: -24.561 Base-Backbone interact. energy: -0.005 local terms energy: -28.273212 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: -14919.883 (S_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: 101 Temperature: 1.150000 Total energy: -16148.810397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16148.810397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.044588 (E_RNA) where: Base-Base interactions energy: -52.029 where: short stacking energy: -17.125 Base-Backbone interact. energy: -1.537 local terms energy: -16.478767 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -2.007 flat angles P-C4'-P energy: -0.056 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: -16078.766 (S_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: 101 Temperature: 1.200000 Total energy: -15052.725773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15052.725773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.442720 (E_RNA) where: Base-Base interactions energy: -57.666 where: short stacking energy: -24.134 Base-Backbone interact. energy: -0.002 local terms energy: -33.774484 where: bonds (distance) C4'-P energy: -6.649 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: -14961.283 (S_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: 101 Temperature: 1.250000 Total energy: -15327.121879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15327.121879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.477915 (E_RNA) where: Base-Base interactions energy: -61.053 where: short stacking energy: -20.948 Base-Backbone interact. energy: -0.099 local terms energy: -22.325257 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: -15243.644 (S_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: 101 Temperature: 1.300000 Total energy: -15114.853597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15114.853597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.751862 (E_RNA) where: Base-Base interactions energy: -61.102 where: short stacking energy: -26.513 Base-Backbone interact. energy: -0.043 local terms energy: -25.606603 where: bonds (distance) C4'-P energy: -4.381 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -1.089 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: -15028.102 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -15058.942115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15058.942115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.455251 (E_RNA) where: Base-Base interactions energy: -56.585 where: short stacking energy: -28.952 Base-Backbone interact. energy: -0.001 local terms energy: -34.869762 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.791 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: -14967.487 (S_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: 102 Temperature: 0.900000 Total energy: -21668.609293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21668.609293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.450386 (E_RNA) where: Base-Base interactions energy: -70.030 where: short stacking energy: -29.053 Base-Backbone interact. energy: -0.914 local terms energy: -33.505911 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: -21564.159 (S_DIST_RNA) chem. 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: -16048.716563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16048.716563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.445742 (E_RNA) where: Base-Base interactions energy: -59.854 where: short stacking energy: -23.588 Base-Backbone interact. energy: -0.079 local terms energy: -29.513072 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: -15959.271 (S_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: 102 Temperature: 1.000000 Total energy: -16133.609490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16133.609490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.862745 (E_RNA) where: Base-Base interactions energy: -68.443 where: short stacking energy: -25.419 Base-Backbone interact. energy: -0.022 local terms energy: -32.397906 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -0.353 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: -16032.747 (S_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: 102 Temperature: 1.050000 Total energy: -15257.945914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15257.945914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.253789 (E_RNA) where: Base-Base interactions energy: -52.897 where: short stacking energy: -19.246 Base-Backbone interact. energy: -0.141 local terms energy: -24.214972 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -0.618 Dist. restrs. and SS energy: -15180.692 (S_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: 102 Temperature: 1.100000 Total energy: -16390.725272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16390.725272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.994298 (E_RNA) where: Base-Base interactions energy: -63.639 where: short stacking energy: -23.786 Base-Backbone interact. energy: -0.015 local terms energy: -24.340523 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -0.774 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: -16302.731 (S_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: 102 Temperature: 1.150000 Total energy: -15146.229209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15146.229209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.736637 (E_RNA) where: Base-Base interactions energy: -63.549 where: short stacking energy: -32.708 Base-Backbone interact. energy: -0.122 local terms energy: -30.066143 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: -15052.493 (S_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: 102 Temperature: 1.200000 Total energy: -15576.587786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15576.587786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.923828 (E_RNA) where: Base-Base interactions energy: -61.579 where: short stacking energy: -27.027 Base-Backbone interact. energy: -0.042 local terms energy: -21.302752 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -1.004 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: -15493.664 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -15288.025401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15288.025401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.169417 (E_RNA) where: Base-Base interactions energy: -51.729 where: short stacking energy: -18.050 Base-Backbone interact. energy: -0.461 local terms energy: -22.980407 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: 1.088 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: -15212.856 (S_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: 102 Temperature: 1.300000 Total energy: -15303.091936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15303.091936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.199020 (E_RNA) where: Base-Base interactions energy: -61.416 where: short stacking energy: -19.025 Base-Backbone interact. energy: -0.268 local terms energy: -24.515594 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: 0.765 Dist. restrs. and SS energy: -15216.893 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -15229.103250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15229.103250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.065863 (E_RNA) where: Base-Base interactions energy: -63.539 where: short stacking energy: -26.721 Base-Backbone interact. energy: -0.005 local terms energy: -23.522072 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -3.645 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: -15142.037 (S_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: 103 Temperature: 0.900000 Total energy: -21742.172655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21742.172655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.158074 (E_RNA) where: Base-Base interactions energy: -63.604 where: short stacking energy: -24.711 Base-Backbone interact. energy: -0.013 local terms energy: -31.541024 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: -21647.015 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -16644.479253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16644.479253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.427724 (E_RNA) where: Base-Base interactions energy: -64.823 where: short stacking energy: -23.661 Base-Backbone interact. energy: -0.098 local terms energy: -25.506377 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -0.487 tors. eta vs tors. theta energy: -6.643 Dist. restrs. and SS energy: -16554.052 (S_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: -16174.835283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16174.835283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.816603 (E_RNA) where: Base-Base interactions energy: -64.301 where: short stacking energy: -26.290 Base-Backbone interact. energy: -0.108 local terms energy: -32.407840 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: -16078.019 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -16509.153201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16509.153201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.778479 (E_RNA) where: Base-Base interactions energy: -64.884 where: short stacking energy: -19.242 Base-Backbone interact. energy: -0.001 local terms energy: -27.893305 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: -16416.375 (S_DIST_RNA) chem. 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: -15487.128508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15487.128508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.929086 (E_RNA) where: Base-Base interactions energy: -54.555 where: short stacking energy: -22.416 Base-Backbone interact. energy: -0.306 local terms energy: -26.068221 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: -15406.199 (S_DIST_RNA) chem. 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: -15854.698457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15854.698457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.154537 (E_RNA) where: Base-Base interactions energy: -53.535 where: short stacking energy: -21.749 Base-Backbone interact. energy: -0.007 local terms energy: -11.612454 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: 3.050 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -0.081 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: -15789.544 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -15297.473316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15297.473316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.379840 (E_RNA) where: Base-Base interactions energy: -57.124 where: short stacking energy: -28.881 Base-Backbone interact. energy: -0.514 local terms energy: -33.741239 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: -15206.093 (S_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: 103 Temperature: 1.250000 Total energy: -15475.697285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15475.697285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.599928 (E_RNA) where: Base-Base interactions energy: -52.702 where: short stacking energy: -15.783 Base-Backbone interact. energy: 1.529 local terms energy: -25.427521 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: -15399.097 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -15486.647180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15486.647180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.401667 (E_RNA) where: Base-Base interactions energy: -64.312 where: short stacking energy: -31.031 Base-Backbone interact. energy: -0.000 local terms energy: -31.089845 where: bonds (distance) C4'-P energy: -1.899 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -8.380 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -8.150 Dist. restrs. and SS energy: -15391.246 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -15489.543820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15489.543820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.901132 (E_RNA) where: Base-Base interactions energy: -53.766 where: short stacking energy: -21.738 Base-Backbone interact. energy: -0.007 local terms energy: -28.128801 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: -15407.643 (S_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: 104 Temperature: 0.900000 Total energy: -21837.446467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21837.446467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.451998 (E_RNA) where: Base-Base interactions energy: -72.476 where: short stacking energy: -26.485 Base-Backbone interact. energy: -0.040 local terms energy: -28.936076 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: -21735.994 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -16975.679059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16975.679059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.165321 (E_RNA) where: Base-Base interactions energy: -59.795 where: short stacking energy: -28.768 Base-Backbone interact. energy: -0.039 local terms energy: -32.331262 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: -16883.514 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -16595.938818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16595.938818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.734985 (E_RNA) where: Base-Base interactions energy: -71.203 where: short stacking energy: -21.244 Base-Backbone interact. energy: -0.002 local terms energy: -32.529696 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: -16492.204 (S_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: 104 Temperature: 1.050000 Total energy: -16296.470565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16296.470565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.064965 (E_RNA) where: Base-Base interactions energy: -67.320 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.026 local terms energy: -25.719431 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: 0.429 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: -16203.406 (S_DIST_RNA) chem. 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: -16078.251230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16078.251230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.231699 (E_RNA) where: Base-Base interactions energy: -59.209 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.021 local terms energy: -25.001038 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: -15994.020 (S_DIST_RNA) chem. 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: -15640.341842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15640.341842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.502142 (E_RNA) where: Base-Base interactions energy: -67.210 where: short stacking energy: -32.087 Base-Backbone interact. energy: -0.002 local terms energy: -28.290921 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: 0.687 tors. eta vs tors. theta energy: -8.629 Dist. restrs. and SS energy: -15544.840 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -15632.914505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15632.914505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.547527 (E_RNA) where: Base-Base interactions energy: -53.802 where: short stacking energy: -18.129 Base-Backbone interact. energy: -0.001 local terms energy: -28.744364 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -3.831 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: -15550.367 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -15474.649964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15474.649964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.778716 (E_RNA) where: Base-Base interactions energy: -61.077 where: short stacking energy: -27.700 Base-Backbone interact. energy: -0.402 local terms energy: -31.299181 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -5.051 Dist. restrs. and SS energy: -15381.871 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -15703.475797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15703.475797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.834285 (E_RNA) where: Base-Base interactions energy: -51.732 where: short stacking energy: -20.968 Base-Backbone interact. energy: -0.052 local terms energy: -29.050547 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: -15622.642 (S_DIST_RNA) chem. 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: -15704.726411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15704.726411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.459585 (E_RNA) where: Base-Base interactions energy: -66.259 where: short stacking energy: -34.173 Base-Backbone interact. energy: -1.195 local terms energy: -25.005382 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: -15612.267 (S_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: 105 Temperature: 0.900000 Total energy: -21952.983617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21952.983617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.543473 (E_RNA) where: Base-Base interactions energy: -67.993 where: short stacking energy: -29.688 Base-Backbone interact. energy: -1.122 local terms energy: -30.429069 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: -21853.440 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -17081.344606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17081.344606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.411471 (E_RNA) where: Base-Base interactions energy: -63.365 where: short stacking energy: -23.536 Base-Backbone interact. energy: -0.014 local terms energy: -33.032194 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -6.304 Dist. restrs. and SS energy: -16984.933 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -16682.045627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16682.045627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.093043 (E_RNA) where: Base-Base interactions energy: -66.860 where: short stacking energy: -26.696 Base-Backbone interact. energy: -0.043 local terms energy: -31.189903 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: -16583.953 (S_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: 105 Temperature: 1.050000 Total energy: -16399.145691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16399.145691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.604482 (E_RNA) where: Base-Base interactions energy: -69.663 where: short stacking energy: -22.296 Base-Backbone interact. energy: -0.021 local terms energy: -30.920168 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -7.780 Dist. restrs. and SS energy: -16298.541 (S_DIST_RNA) chem. 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: -16306.941821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16306.941821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.112410 (E_RNA) where: Base-Base interactions energy: -56.501 where: short stacking energy: -28.194 Base-Backbone interact. energy: -0.048 local terms energy: -27.563300 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: -16222.829 (S_DIST_RNA) chem. 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: -15782.313396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15782.313396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.160649 (E_RNA) where: Base-Base interactions energy: -65.766 where: short stacking energy: -28.531 Base-Backbone interact. energy: -0.995 local terms energy: -29.399677 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -6.704 Dist. restrs. and SS energy: -15686.153 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -15760.790435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15760.790435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192054 (E_RNA) where: Base-Base interactions energy: -53.615 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.000 local terms energy: -29.576242 where: bonds (distance) C4'-P energy: -5.898 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: -15677.598 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -15870.688671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15870.688671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.473933 (E_RNA) where: Base-Base interactions energy: -65.961 where: short stacking energy: -31.712 Base-Backbone interact. energy: -0.001 local terms energy: -27.512203 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -1.176 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: -15777.215 (S_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: 105 Temperature: 1.300000 Total energy: -15635.682631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15635.682631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.794681 (E_RNA) where: Base-Base interactions energy: -57.418 where: short stacking energy: -20.383 Base-Backbone interact. energy: 0.205 local terms energy: -30.581365 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: -15547.888 (S_DIST_RNA) chem. 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: -15992.835937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15992.835937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.091623 (E_RNA) where: Base-Base interactions energy: -57.502 where: short stacking energy: -17.518 Base-Backbone interact. energy: -0.307 local terms energy: -23.282681 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: 2.215 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: -15911.744 (S_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: 106 Temperature: 0.900000 Total energy: -22050.375100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22050.375100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.696833 (E_RNA) where: Base-Base interactions energy: -64.988 where: short stacking energy: -22.382 Base-Backbone interact. energy: -0.001 local terms energy: -31.707543 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: -21953.678 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -17217.071950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17217.071950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.166175 (E_RNA) where: Base-Base interactions energy: -65.368 where: short stacking energy: -25.664 Base-Backbone interact. energy: -0.014 local terms energy: -32.785024 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: -17118.906 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -16794.531465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16794.531465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.422403 (E_RNA) where: Base-Base interactions energy: -69.896 where: short stacking energy: -36.395 Base-Backbone interact. energy: -0.001 local terms energy: -36.525210 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -8.900 Dist. restrs. and SS energy: -16688.109 (S_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: 106 Temperature: 1.050000 Total energy: -16497.385969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16497.385969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.541222 (E_RNA) where: Base-Base interactions energy: -59.196 where: short stacking energy: -22.107 Base-Backbone interact. energy: -0.111 local terms energy: -34.234559 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: -16403.845 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -16455.121453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16455.121453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.144732 (E_RNA) where: Base-Base interactions energy: -67.256 where: short stacking energy: -22.135 Base-Backbone interact. energy: -0.037 local terms energy: -27.852005 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: -16359.977 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -15892.922485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15892.922485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.742202 (E_RNA) where: Base-Base interactions energy: -64.365 where: short stacking energy: -25.722 Base-Backbone interact. energy: -0.010 local terms energy: -28.367011 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -4.980 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: -15800.180 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -16007.221672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16007.221672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.430394 (E_RNA) where: Base-Base interactions energy: -62.536 where: short stacking energy: -23.355 Base-Backbone interact. energy: -0.004 local terms energy: -30.890191 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.158 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: -15913.791 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -15950.969332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15950.969332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.896771 (E_RNA) where: Base-Base interactions energy: -56.110 where: short stacking energy: -27.953 Base-Backbone interact. energy: 0.496 local terms energy: -28.282686 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -1.522 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: -15867.073 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -16232.401467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16232.401467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.898816 (E_RNA) where: Base-Base interactions energy: -58.014 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.873 local terms energy: -34.012271 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: -16139.503 (S_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: 106 Temperature: 1.350000 Total energy: -15766.256470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15766.256470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.138612 (E_RNA) where: Base-Base interactions energy: -61.373 where: short stacking energy: -30.960 Base-Backbone interact. energy: -0.095 local terms energy: -32.670789 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.430 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -8.715 Dist. restrs. and SS energy: -15672.118 (S_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: 107 Temperature: 0.900000 Total energy: -22146.122578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22146.122578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.754925 (E_RNA) where: Base-Base interactions energy: -68.962 where: short stacking energy: -34.230 Base-Backbone interact. energy: -0.000 local terms energy: -33.792378 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.632 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: -22043.368 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -17346.260086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17346.260086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.727338 (E_RNA) where: Base-Base interactions energy: -66.205 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.202 local terms energy: -33.320727 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: -17246.533 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -16919.109379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16919.109379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.563669 (E_RNA) where: Base-Base interactions energy: -56.384 where: short stacking energy: -25.638 Base-Backbone interact. energy: -0.000 local terms energy: -35.179318 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: -16827.546 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -16596.398326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16596.398326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.212826 (E_RNA) where: Base-Base interactions energy: -67.161 where: short stacking energy: -23.172 Base-Backbone interact. energy: -0.008 local terms energy: -28.043901 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: 0.826 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: -16501.186 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -16543.777780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16543.777780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.356509 (E_RNA) where: Base-Base interactions energy: -53.616 where: short stacking energy: -27.576 Base-Backbone interact. energy: -0.017 local terms energy: -26.723630 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -1.056 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: -16463.421 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -16121.863374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16121.863374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.173359 (E_RNA) where: Base-Base interactions energy: -68.091 where: short stacking energy: -20.961 Base-Backbone interact. energy: -0.015 local terms energy: -23.067860 where: bonds (distance) C4'-P energy: -2.832 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: -16030.690 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -16028.264929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16028.264929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.239584 (E_RNA) where: Base-Base interactions energy: -63.009 where: short stacking energy: -24.820 Base-Backbone interact. energy: -0.011 local terms energy: -28.219071 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -5.436 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: -15937.025 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -16371.144498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16371.144498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.865387 (E_RNA) where: Base-Base interactions energy: -39.745 where: short stacking energy: -15.611 Base-Backbone interact. energy: 2.367 local terms energy: -21.487824 where: bonds (distance) C4'-P energy: -3.862 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: -16312.279 (S_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: 107 Temperature: 1.300000 Total energy: -16083.091324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16083.091324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.689778 (E_RNA) where: Base-Base interactions energy: -76.285 where: short stacking energy: -28.140 Base-Backbone interact. energy: -0.002 local terms energy: -24.402839 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: -15982.402 (S_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: 107 Temperature: 1.350000 Total energy: -15907.411403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -15907.411403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.823270 (E_RNA) where: Base-Base interactions energy: -66.153 where: short stacking energy: -21.880 Base-Backbone interact. energy: -0.030 local terms energy: -14.640626 where: bonds (distance) C4'-P energy: -3.079 bonds (distance) P-C4' energy: -2.297 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -5.782 Dist. restrs. and SS energy: -15826.588 (S_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: 108 Temperature: 0.900000 Total energy: -22243.121781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22243.121781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.263523 (E_RNA) where: Base-Base interactions energy: -64.825 where: short stacking energy: -25.329 Base-Backbone interact. energy: -0.001 local terms energy: -36.437672 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: -22141.858 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -17445.662660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17445.662660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.041869 (E_RNA) where: Base-Base interactions energy: -67.412 where: short stacking energy: -29.281 Base-Backbone interact. energy: -0.002 local terms energy: -32.627939 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: -17345.621 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -17046.295503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17046.295503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.485876 (E_RNA) where: Base-Base interactions energy: -68.103 where: short stacking energy: -28.693 Base-Backbone interact. energy: -1.622 local terms energy: -35.760955 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -8.865 Dist. restrs. and SS energy: -16940.810 (S_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: 108 Temperature: 1.050000 Total energy: -16679.714034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16679.714034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.089214 (E_RNA) where: Base-Base interactions energy: -68.547 where: short stacking energy: -21.986 Base-Backbone interact. energy: 0.244 local terms energy: -27.785716 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -4.425 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -0.855 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: -16583.625 (S_DIST_RNA) chem. 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: -16744.992576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16744.992576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.600545 (E_RNA) where: Base-Base interactions energy: -52.820 where: short stacking energy: -22.601 Base-Backbone interact. energy: -0.066 local terms energy: -30.714121 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: -16661.392 (S_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: 108 Temperature: 1.150000 Total energy: -16269.524543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16269.524543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.588953 (E_RNA) where: Base-Base interactions energy: -62.409 where: short stacking energy: -29.009 Base-Backbone interact. energy: -0.270 local terms energy: -36.909609 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: -16169.936 (S_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: 108 Temperature: 1.200000 Total energy: -16544.073794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16544.073794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.556067 (E_RNA) where: Base-Base interactions energy: -58.689 where: short stacking energy: -24.102 Base-Backbone interact. energy: -0.006 local terms energy: -27.860736 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: -16457.518 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -16174.526869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16174.526869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.677316 (E_RNA) where: Base-Base interactions energy: -65.624 where: short stacking energy: -29.790 Base-Backbone interact. energy: -0.004 local terms energy: -31.049017 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -1.309 tors. eta vs tors. theta energy: -8.693 Dist. restrs. and SS energy: -16077.850 (S_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: 108 Temperature: 1.300000 Total energy: -16227.141980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16227.141980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.809581 (E_RNA) where: Base-Base interactions energy: -58.347 where: short stacking energy: -23.094 Base-Backbone interact. energy: -0.463 local terms energy: -30.999343 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -0.762 tors. eta vs tors. theta energy: -6.719 Dist. restrs. and SS energy: -16137.332 (S_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: 108 Temperature: 1.350000 Total energy: -16099.902665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16099.902665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.227376 (E_RNA) where: Base-Base interactions energy: -59.832 where: short stacking energy: -26.400 Base-Backbone interact. energy: -0.002 local terms energy: -28.393033 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: -16011.675 (S_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: 109 Temperature: 0.900000 Total energy: -22326.024878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22326.024878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.262084 (E_RNA) where: Base-Base interactions energy: -71.491 where: short stacking energy: -29.591 Base-Backbone interact. energy: -0.002 local terms energy: -29.769949 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: 0.022 tors. eta vs tors. theta energy: -6.613 Dist. restrs. and SS energy: -22224.763 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -17546.069296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17546.069296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.343977 (E_RNA) where: Base-Base interactions energy: -67.939 where: short stacking energy: -30.857 Base-Backbone interact. energy: -0.009 local terms energy: -34.395936 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: -17443.725 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -17154.064662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17154.064662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.801414 (E_RNA) where: Base-Base interactions energy: -69.225 where: short stacking energy: -33.076 Base-Backbone interact. energy: -0.000 local terms energy: -35.575728 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -8.835 Dist. restrs. and SS energy: -17049.263 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -16945.958082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16945.958082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.319739 (E_RNA) where: Base-Base interactions energy: -67.210 where: short stacking energy: -26.773 Base-Backbone interact. energy: 0.073 local terms energy: -25.183417 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: -16853.638 (S_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: 109 Temperature: 1.100000 Total energy: -16815.399224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16815.399224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.021397 (E_RNA) where: Base-Base interactions energy: -59.709 where: short stacking energy: -25.641 Base-Backbone interact. energy: -0.534 local terms energy: -26.778589 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: -16728.378 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -16679.787830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16679.787830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.223498 (E_RNA) where: Base-Base interactions energy: -60.461 where: short stacking energy: -33.640 Base-Backbone interact. energy: -1.867 local terms energy: -32.896195 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -8.847 Dist. restrs. and SS energy: -16584.564 (S_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: 109 Temperature: 1.200000 Total energy: -16387.300616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16387.300616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.969511 (E_RNA) where: Base-Base interactions energy: -65.360 where: short stacking energy: -25.245 Base-Backbone interact. energy: -0.008 local terms energy: -31.601507 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.111 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -7.524 Dist. restrs. and SS energy: -16290.331 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -16390.456372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16390.456372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.620141 (E_RNA) where: Base-Base interactions energy: -62.342 where: short stacking energy: -30.067 Base-Backbone interact. energy: -0.000 local terms energy: -31.277430 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: -16296.836 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -16311.981475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16311.981475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.326285 (E_RNA) where: Base-Base interactions energy: -62.480 where: short stacking energy: -27.554 Base-Backbone interact. energy: -0.088 local terms energy: -32.758003 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: -16216.655 (S_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: 109 Temperature: 1.350000 Total energy: -16227.537732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16227.537732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.202992 (E_RNA) where: Base-Base interactions energy: -61.027 where: short stacking energy: -26.286 Base-Backbone interact. energy: -0.007 local terms energy: -26.169823 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -2.023 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: -16140.335 (S_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: 110 Temperature: 0.900000 Total energy: -22414.926157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22414.926157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.059792 (E_RNA) where: Base-Base interactions energy: -69.256 where: short stacking energy: -34.968 Base-Backbone interact. energy: -0.000 local terms energy: -38.803656 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -8.529 Dist. restrs. and SS energy: -22306.866 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -17656.352844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17656.352844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.626930 (E_RNA) where: Base-Base interactions energy: -73.509 where: short stacking energy: -25.138 Base-Backbone interact. energy: -0.010 local terms energy: -29.107825 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: -17553.726 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -17279.434044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17279.434044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.418876 (E_RNA) where: Base-Base interactions energy: -69.183 where: short stacking energy: -30.576 Base-Backbone interact. energy: -1.417 local terms energy: -31.819495 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -1.590 tors. eta vs tors. theta energy: -8.670 Dist. restrs. and SS energy: -17177.015 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -17170.068475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17170.068475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.828141 (E_RNA) where: Base-Base interactions energy: -58.995 where: short stacking energy: -26.199 Base-Backbone interact. energy: -0.096 local terms energy: -34.737646 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: -17076.240 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -17060.326268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17060.326268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.648021 (E_RNA) where: Base-Base interactions energy: -66.993 where: short stacking energy: -25.928 Base-Backbone interact. energy: -0.100 local terms energy: -26.555226 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -0.394 tors. eta vs tors. theta energy: -6.161 Dist. restrs. and SS energy: -16966.678 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -16835.227321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16835.227321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.330529 (E_RNA) where: Base-Base interactions energy: -66.383 where: short stacking energy: -23.099 Base-Backbone interact. energy: -0.003 local terms energy: -31.944696 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.066 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: -16736.897 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -16542.445505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16542.445505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.434522 (E_RNA) where: Base-Base interactions energy: -63.837 where: short stacking energy: -29.671 Base-Backbone interact. energy: -1.565 local terms energy: -34.032052 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: -16443.011 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -16548.716629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16548.716629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.209554 (E_RNA) where: Base-Base interactions energy: -43.308 where: short stacking energy: -10.479 Base-Backbone interact. energy: 0.317 local terms energy: -25.218585 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: -16480.507 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -16464.359367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16464.359367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.899492 (E_RNA) where: Base-Base interactions energy: -64.979 where: short stacking energy: -26.551 Base-Backbone interact. energy: -0.766 local terms energy: -32.154302 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: -16366.460 (S_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: 110 Temperature: 1.350000 Total energy: -16435.288920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16435.288920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.991120 (E_RNA) where: Base-Base interactions energy: -59.981 where: short stacking energy: -27.121 Base-Backbone interact. energy: -0.001 local terms energy: -31.009582 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: -16344.298 (S_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: 111 Temperature: 0.900000 Total energy: -22525.277127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22525.277127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.125638 (E_RNA) where: Base-Base interactions energy: -69.951 where: short stacking energy: -31.884 Base-Backbone interact. energy: -0.002 local terms energy: -29.173208 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -0.593 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: -22426.151 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -17746.226110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17746.226110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.855004 (E_RNA) where: Base-Base interactions energy: -62.984 where: short stacking energy: -30.432 Base-Backbone interact. energy: -0.437 local terms energy: -35.434121 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -8.753 Dist. restrs. and SS energy: -17647.371 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -17386.179557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17386.179557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.559344 (E_RNA) where: Base-Base interactions energy: -64.584 where: short stacking energy: -26.079 Base-Backbone interact. energy: -0.281 local terms energy: -33.694666 where: bonds (distance) C4'-P energy: -7.919 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: -17287.620 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -17360.115284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17360.115284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.892199 (E_RNA) where: Base-Base interactions energy: -55.059 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.039 local terms energy: -23.794290 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: 1.264 Dist. restrs. and SS energy: -17281.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -17432.201093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17432.201093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.621953 (E_RNA) where: Base-Base interactions energy: -66.207 where: short stacking energy: -25.883 Base-Backbone interact. energy: -0.868 local terms energy: -29.547336 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: -17335.579 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -16966.627515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16966.627515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.800692 (E_RNA) where: Base-Base interactions energy: -60.789 where: short stacking energy: -21.162 Base-Backbone interact. energy: -0.001 local terms energy: -31.011315 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -3.699 flat angles C4'-P-C4' energy: -9.265 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: -16874.827 (S_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: 111 Temperature: 1.200000 Total energy: -16698.015858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16698.015858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.731318 (E_RNA) where: Base-Base interactions energy: -69.292 where: short stacking energy: -33.753 Base-Backbone interact. energy: -0.001 local terms energy: -30.437867 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -6.348 Dist. restrs. and SS energy: -16598.285 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -16742.326675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16742.326675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.116858 (E_RNA) where: Base-Base interactions energy: -63.252 where: short stacking energy: -31.501 Base-Backbone interact. energy: -0.000 local terms energy: -35.863992 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: -16643.210 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -16624.201992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16624.201992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.082197 (E_RNA) where: Base-Base interactions energy: -58.492 where: short stacking energy: -31.568 Base-Backbone interact. energy: -0.710 local terms energy: -32.880376 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -9.297 Dist. restrs. and SS energy: -16532.120 (S_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: 111 Temperature: 1.350000 Total energy: -16598.523853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16598.523853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.952700 (E_RNA) where: Base-Base interactions energy: -63.065 where: short stacking energy: -33.145 Base-Backbone interact. energy: -0.873 local terms energy: -26.013976 where: bonds (distance) C4'-P energy: -4.834 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: -16508.571 (S_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: 112 Temperature: 0.900000 Total energy: -22647.561922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22647.561922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.204163 (E_RNA) where: Base-Base interactions energy: -65.547 where: short stacking energy: -28.873 Base-Backbone interact. energy: -0.296 local terms energy: -35.360911 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: -22546.358 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -17830.645900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17830.645900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.354388 (E_RNA) where: Base-Base interactions energy: -64.956 where: short stacking energy: -32.292 Base-Backbone interact. energy: -0.637 local terms energy: -33.761912 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: -17731.292 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -17491.854077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17491.854077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.264353 (E_RNA) where: Base-Base interactions energy: -61.909 where: short stacking energy: -24.640 Base-Backbone interact. energy: -0.121 local terms energy: -31.234579 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: -17398.590 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -17656.041013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17656.041013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.387185 (E_RNA) where: Base-Base interactions energy: -54.440 where: short stacking energy: -20.540 Base-Backbone interact. energy: 2.061 local terms energy: -26.008061 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: 1.247 Dist. restrs. and SS energy: -17577.654 (S_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: 112 Temperature: 1.100000 Total energy: -17533.535798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17533.535798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.684049 (E_RNA) where: Base-Base interactions energy: -53.618 where: short stacking energy: -17.848 Base-Backbone interact. energy: -0.002 local terms energy: -27.063728 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: -17452.852 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -17072.262532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17072.262532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.501055 (E_RNA) where: Base-Base interactions energy: -57.355 where: short stacking energy: -23.125 Base-Backbone interact. energy: -0.002 local terms energy: -35.143947 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -8.209 Dist. restrs. and SS energy: -16979.761 (S_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: 112 Temperature: 1.200000 Total energy: -16883.173752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16883.173752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.560050 (E_RNA) where: Base-Base interactions energy: -66.319 where: short stacking energy: -33.732 Base-Backbone interact. energy: -0.000 local terms energy: -34.240900 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -9.440 Dist. restrs. and SS energy: -16782.614 (S_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: 112 Temperature: 1.250000 Total energy: -16831.899503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16831.899503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.198205 (E_RNA) where: Base-Base interactions energy: -60.682 where: short stacking energy: -27.037 Base-Backbone interact. energy: -0.017 local terms energy: -26.499255 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -3.080 Dist. restrs. and SS energy: -16744.701 (S_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: 112 Temperature: 1.300000 Total energy: -16727.530724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16727.530724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.665209 (E_RNA) where: Base-Base interactions energy: -61.220 where: short stacking energy: -25.004 Base-Backbone interact. energy: -0.281 local terms energy: -26.163779 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -0.039 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: -16639.866 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -16866.120356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16866.120356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.079515 (E_RNA) where: Base-Base interactions energy: -34.903 where: short stacking energy: -15.956 Base-Backbone interact. energy: -1.276 local terms energy: -21.900637 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -1.661 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: -16808.041 (S_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: 113 Temperature: 0.900000 Total energy: -22731.845428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22731.845428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.763645 (E_RNA) where: Base-Base interactions energy: -65.602 where: short stacking energy: -24.852 Base-Backbone interact. energy: -0.169 local terms energy: -27.992991 where: bonds (distance) C4'-P energy: -4.599 bonds (distance) P-C4' energy: -6.255 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: -22638.082 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -17935.930462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17935.930462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.798480 (E_RNA) where: Base-Base interactions energy: -66.964 where: short stacking energy: -32.048 Base-Backbone interact. energy: -0.000 local terms energy: -29.834013 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: -17839.132 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -17599.169638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17599.169638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.943385 (E_RNA) where: Base-Base interactions energy: -62.797 where: short stacking energy: -24.357 Base-Backbone interact. energy: -0.011 local terms energy: -19.134818 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -5.241 flat angles C4'-P-C4' energy: -1.798 flat angles P-C4'-P energy: 0.060 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: -17517.226 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -17823.473209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17823.473209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.492419 (E_RNA) where: Base-Base interactions energy: -58.904 where: short stacking energy: -22.137 Base-Backbone interact. energy: -0.074 local terms energy: -28.514118 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: -17735.981 (S_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: 113 Temperature: 1.100000 Total energy: -17651.215516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17651.215516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.776357 (E_RNA) where: Base-Base interactions energy: -59.919 where: short stacking energy: -30.727 Base-Backbone interact. energy: -1.654 local terms energy: -33.203310 where: bonds (distance) C4'-P energy: -4.252 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: -17556.439 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -17175.072381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17175.072381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.924368 (E_RNA) where: Base-Base interactions energy: -63.989 where: short stacking energy: -34.344 Base-Backbone interact. energy: -0.353 local terms energy: -35.582605 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.552 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -7.362 Dist. restrs. and SS energy: -17075.148 (S_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: 113 Temperature: 1.200000 Total energy: -17031.095286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17031.095286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.648578 (E_RNA) where: Base-Base interactions energy: -59.006 where: short stacking energy: -31.240 Base-Backbone interact. energy: -0.005 local terms energy: -34.637701 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -9.226 Dist. restrs. and SS energy: -16937.447 (S_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: 113 Temperature: 1.250000 Total energy: -17012.204188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17012.204188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.751410 (E_RNA) where: Base-Base interactions energy: -56.229 where: short stacking energy: -31.375 Base-Backbone interact. energy: -0.150 local terms energy: -29.371890 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -6.358 Dist. restrs. and SS energy: -16926.453 (S_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: 113 Temperature: 1.300000 Total energy: -16889.038148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16889.038148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.844535 (E_RNA) where: Base-Base interactions energy: -53.728 where: short stacking energy: -25.085 Base-Backbone interact. energy: -0.001 local terms energy: -32.116198 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -1.650 tors. eta vs tors. theta energy: -7.538 Dist. restrs. and SS energy: -16803.194 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -17482.105918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17482.105918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.334518 (E_RNA) where: Base-Base interactions energy: -50.916 where: short stacking energy: -24.109 Base-Backbone interact. energy: -0.032 local terms energy: -32.387380 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: -17398.771 (S_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: 114 Temperature: 0.900000 Total energy: -22850.136581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22850.136581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.973092 (E_RNA) where: Base-Base interactions energy: -66.541 where: short stacking energy: -29.596 Base-Backbone interact. energy: -0.375 local terms energy: -33.057254 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: -22750.163 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -18042.366570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18042.366570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.400621 (E_RNA) where: Base-Base interactions energy: -67.937 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.000 local terms energy: -35.463389 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -7.525 Dist. restrs. and SS energy: -17938.966 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -17972.461958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17972.461958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.940239 (E_RNA) where: Base-Base interactions energy: -65.227 where: short stacking energy: -27.860 Base-Backbone interact. energy: -0.002 local terms energy: -35.710909 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -7.494 Dist. restrs. and SS energy: -17871.522 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -17707.231743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17707.231743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.835130 (E_RNA) where: Base-Base interactions energy: -67.024 where: short stacking energy: -27.479 Base-Backbone interact. energy: -0.001 local terms energy: -32.810603 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -1.102 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: -17607.397 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -17764.164482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17764.164482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.345597 (E_RNA) where: Base-Base interactions energy: -62.021 where: short stacking energy: -31.957 Base-Backbone interact. energy: -0.000 local terms energy: -27.324186 where: bonds (distance) C4'-P energy: -1.064 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.029 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: -17674.819 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -17322.563165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17322.563165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.747764 (E_RNA) where: Base-Base interactions energy: -59.435 where: short stacking energy: -25.536 Base-Backbone interact. energy: -1.064 local terms energy: -32.249294 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.396 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -6.279 Dist. restrs. and SS energy: -17229.815 (S_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: 114 Temperature: 1.200000 Total energy: -17169.993784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17169.993784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.228983 (E_RNA) where: Base-Base interactions energy: -65.025 where: short stacking energy: -23.715 Base-Backbone interact. energy: -0.222 local terms energy: -28.982442 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: -17075.765 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -17177.828479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17177.828479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.786564 (E_RNA) where: Base-Base interactions energy: -63.183 where: short stacking energy: -29.266 Base-Backbone interact. energy: -0.003 local terms energy: -25.600894 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: -17089.042 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -17776.324844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17776.324844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.899637 (E_RNA) where: Base-Base interactions energy: -49.977 where: short stacking energy: -21.010 Base-Backbone interact. energy: -0.719 local terms energy: -28.203318 where: bonds (distance) C4'-P energy: -8.905 bonds (distance) P-C4' energy: -4.143 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -1.684 tors. eta vs tors. theta energy: -6.150 Dist. restrs. and SS energy: -17697.425 (S_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: 114 Temperature: 1.350000 Total energy: -17074.548880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17074.548880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.063349 (E_RNA) where: Base-Base interactions energy: -60.291 where: short stacking energy: -26.547 Base-Backbone interact. energy: -0.003 local terms energy: -25.768735 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: -16988.486 (S_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: 115 Temperature: 0.900000 Total energy: -22901.349610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22901.349610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.037054 (E_RNA) where: Base-Base interactions energy: -75.693 where: short stacking energy: -29.697 Base-Backbone interact. energy: -0.001 local terms energy: -29.343191 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -5.837 Dist. restrs. and SS energy: -22796.313 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -18166.784867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18166.784867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.703516 (E_RNA) where: Base-Base interactions energy: -63.438 where: short stacking energy: -24.755 Base-Backbone interact. energy: -0.031 local terms energy: -33.234304 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -6.105 Dist. restrs. and SS energy: -18070.081 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -18112.824859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18112.824859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.296571 (E_RNA) where: Base-Base interactions energy: -62.574 where: short stacking energy: -24.831 Base-Backbone interact. energy: -0.041 local terms energy: -33.681874 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: -18016.528 (S_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: 115 Temperature: 1.050000 Total energy: -17870.195314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17870.195314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.134034 (E_RNA) where: Base-Base interactions energy: -68.065 where: short stacking energy: -26.849 Base-Backbone interact. energy: 0.521 local terms energy: -27.589757 where: bonds (distance) C4'-P energy: -4.272 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: -17775.061 (S_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: 115 Temperature: 1.100000 Total energy: -17821.300623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17821.300623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.952437 (E_RNA) where: Base-Base interactions energy: -60.673 where: short stacking energy: -28.096 Base-Backbone interact. energy: -0.076 local terms energy: -35.202756 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: -17725.348 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -17431.804595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17431.804595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.719698 (E_RNA) where: Base-Base interactions energy: -62.094 where: short stacking energy: -26.431 Base-Backbone interact. energy: -0.127 local terms energy: -32.498629 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: -17337.085 (S_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: 115 Temperature: 1.200000 Total energy: -17339.088848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17339.088848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.941012 (E_RNA) where: Base-Base interactions energy: -56.344 where: short stacking energy: -26.034 Base-Backbone interact. energy: -0.001 local terms energy: -23.595744 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: -17259.148 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -17970.818040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17970.818040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.389122 (E_RNA) where: Base-Base interactions energy: -62.724 where: short stacking energy: -29.700 Base-Backbone interact. energy: -1.018 local terms energy: -32.646852 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -8.871 Dist. restrs. and SS energy: -17874.429 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -17329.909066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17329.909066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.735731 (E_RNA) where: Base-Base interactions energy: -67.713 where: short stacking energy: -34.421 Base-Backbone interact. energy: -0.122 local terms energy: -25.901215 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -1.296 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -7.319 Dist. restrs. and SS energy: -17236.173 (S_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: 115 Temperature: 1.350000 Total energy: -17613.630882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17613.630882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.812782 (E_RNA) where: Base-Base interactions energy: -40.641 where: short stacking energy: -14.670 Base-Backbone interact. energy: -0.065 local terms energy: -23.106246 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -2.329 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: -17549.818 (S_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: 116 Temperature: 0.900000 Total energy: -22955.839000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22955.839000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.880137 (E_RNA) where: Base-Base interactions energy: -76.671 where: short stacking energy: -25.319 Base-Backbone interact. energy: -0.001 local terms energy: -26.207985 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -2.015 tors. eta vs tors. theta energy: -7.100 Dist. restrs. and SS energy: -22852.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -18264.602585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18264.602585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.988566 (E_RNA) where: Base-Base interactions energy: -59.732 where: short stacking energy: -24.293 Base-Backbone interact. energy: 0.664 local terms energy: -36.920761 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: -18168.614 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -18204.281204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18204.281204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.407527 (E_RNA) where: Base-Base interactions energy: -68.094 where: short stacking energy: -29.038 Base-Backbone interact. energy: -0.097 local terms energy: -34.217264 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: -18101.874 (S_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: 116 Temperature: 1.050000 Total energy: -17976.093621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17976.093621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.724393 (E_RNA) where: Base-Base interactions energy: -76.556 where: short stacking energy: -23.125 Base-Backbone interact. energy: -0.287 local terms energy: -28.881217 where: bonds (distance) C4'-P energy: -5.991 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: -17870.369 (S_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: 116 Temperature: 1.100000 Total energy: -17948.493510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17948.493510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.818721 (E_RNA) where: Base-Base interactions energy: -70.469 where: short stacking energy: -35.976 Base-Backbone interact. energy: -0.946 local terms energy: -33.404250 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -6.831 Dist. restrs. and SS energy: -17843.675 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -17621.803183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17621.803183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.853481 (E_RNA) where: Base-Base interactions energy: -67.170 where: short stacking energy: -28.971 Base-Backbone interact. energy: -0.004 local terms energy: -25.679381 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: -17528.950 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -18103.805349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18103.805349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.282063 (E_RNA) where: Base-Base interactions energy: -66.554 where: short stacking energy: -28.729 Base-Backbone interact. energy: -0.059 local terms energy: -30.668904 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: -18006.523 (S_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: 116 Temperature: 1.250000 Total energy: -17504.978366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17504.978366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.867540 (E_RNA) where: Base-Base interactions energy: -67.701 where: short stacking energy: -23.150 Base-Backbone interact. energy: -0.000 local terms energy: -33.166019 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: -17404.111 (S_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: 116 Temperature: 1.300000 Total energy: -17844.688189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17844.688189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.025929 (E_RNA) where: Base-Base interactions energy: -59.026 where: short stacking energy: -27.963 Base-Backbone interact. energy: -0.000 local terms energy: -33.000211 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: -17752.662 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -17602.486945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17602.486945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.471116 (E_RNA) where: Base-Base interactions energy: -49.076 where: short stacking energy: -17.453 Base-Backbone interact. energy: -0.051 local terms energy: -16.344085 where: bonds (distance) C4'-P energy: -2.896 bonds (distance) P-C4' energy: -2.892 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -1.640 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: -17537.016 (S_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: 117 Temperature: 0.900000 Total energy: -23003.742132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23003.742132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.853501 (E_RNA) where: Base-Base interactions energy: -80.763 where: short stacking energy: -27.170 Base-Backbone interact. energy: -0.000 local terms energy: -29.090299 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.144 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -0.945 tors. eta vs tors. theta energy: -7.127 Dist. restrs. and SS energy: -22893.889 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -18367.929747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18367.929747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.576876 (E_RNA) where: Base-Base interactions energy: -82.021 where: short stacking energy: -25.802 Base-Backbone interact. energy: -0.010 local terms energy: -33.545325 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: -18252.353 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -18308.177918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18308.177918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.693560 (E_RNA) where: Base-Base interactions energy: -65.099 where: short stacking energy: -35.107 Base-Backbone interact. energy: -0.391 local terms energy: -39.202710 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -7.853 Dist. restrs. and SS energy: -18203.484 (S_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: 117 Temperature: 1.050000 Total energy: -18100.242636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18100.242636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.513942 (E_RNA) where: Base-Base interactions energy: -65.592 where: short stacking energy: -30.845 Base-Backbone interact. energy: -0.000 local terms energy: -29.921159 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -0.610 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: -18004.729 (S_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: 117 Temperature: 1.100000 Total energy: -18072.764876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18072.764876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.748969 (E_RNA) where: Base-Base interactions energy: -61.874 where: short stacking energy: -28.835 Base-Backbone interact. energy: -0.041 local terms energy: -33.833990 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: -17977.016 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -18263.982396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18263.982396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.564495 (E_RNA) where: Base-Base interactions energy: -64.901 where: short stacking energy: -36.010 Base-Backbone interact. energy: -0.000 local terms energy: -34.662855 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: -18164.418 (S_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: 117 Temperature: 1.200000 Total energy: -17766.389265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17766.389265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.904228 (E_RNA) where: Base-Base interactions energy: -62.542 where: short stacking energy: -28.431 Base-Backbone interact. energy: -0.000 local terms energy: -33.361912 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -6.144 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -7.565 Dist. restrs. and SS energy: -17670.485 (S_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: 117 Temperature: 1.250000 Total energy: -18019.106985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18019.106985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.391728 (E_RNA) where: Base-Base interactions energy: -61.957 where: short stacking energy: -27.580 Base-Backbone interact. energy: -0.021 local terms energy: -22.413658 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: -17934.715 (S_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: 117 Temperature: 1.300000 Total energy: -17645.088356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17645.088356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.047119 (E_RNA) where: Base-Base interactions energy: -65.666 where: short stacking energy: -31.891 Base-Backbone interact. energy: -0.164 local terms energy: -27.217289 where: bonds (distance) C4'-P energy: -2.004 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: -17552.041 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -17926.296071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17926.296071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.283541 (E_RNA) where: Base-Base interactions energy: -53.732 where: short stacking energy: -24.085 Base-Backbone interact. energy: -0.057 local terms energy: -21.494531 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -0.078 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: -17851.013 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -23091.114337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23091.114337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.449458 (E_RNA) where: Base-Base interactions energy: -68.231 where: short stacking energy: -30.418 Base-Backbone interact. energy: -0.005 local terms energy: -32.213084 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: -22990.665 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -18438.717104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18438.717104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.760229 (E_RNA) where: Base-Base interactions energy: -75.910 where: short stacking energy: -25.850 Base-Backbone interact. energy: -0.013 local terms energy: -29.837783 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.859 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: -18332.957 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -18550.253617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18550.253617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.351886 (E_RNA) where: Base-Base interactions energy: -71.146 where: short stacking energy: -25.452 Base-Backbone interact. energy: -0.100 local terms energy: -33.106040 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: -18445.902 (S_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: 118 Temperature: 1.050000 Total energy: -18242.142273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18242.142273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.613273 (E_RNA) where: Base-Base interactions energy: -71.976 where: short stacking energy: -36.515 Base-Backbone interact. energy: -0.000 local terms energy: -34.637251 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -9.708 Dist. restrs. and SS energy: -18135.529 (S_DIST_RNA) chem. 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: -18375.446691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18375.446691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.538906 (E_RNA) where: Base-Base interactions energy: -66.369 where: short stacking energy: -29.678 Base-Backbone interact. energy: 0.196 local terms energy: -31.366315 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -6.511 Dist. restrs. and SS energy: -18277.908 (S_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: 118 Temperature: 1.150000 Total energy: -18193.718503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18193.718503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.587202 (E_RNA) where: Base-Base interactions energy: -59.207 where: short stacking energy: -21.246 Base-Backbone interact. energy: -0.077 local terms energy: -27.303527 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: -18107.131 (S_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: 118 Temperature: 1.200000 Total energy: -18173.956013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18173.956013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.382280 (E_RNA) where: Base-Base interactions energy: -66.552 where: short stacking energy: -35.898 Base-Backbone interact. energy: -0.001 local terms energy: -31.829769 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: -18075.574 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -17932.227045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17932.227045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.261449 (E_RNA) where: Base-Base interactions energy: -57.288 where: short stacking energy: -32.529 Base-Backbone interact. energy: -0.015 local terms energy: -29.958329 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -4.333 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -6.707 Dist. restrs. and SS energy: -17844.966 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -18216.358436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18216.358436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.466051 (E_RNA) where: Base-Base interactions energy: -64.744 where: short stacking energy: -30.722 Base-Backbone interact. energy: -0.001 local terms energy: -22.720748 where: bonds (distance) C4'-P energy: -3.209 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -1.430 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: -18128.892 (S_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: 118 Temperature: 1.350000 Total energy: -17887.368249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17887.368249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.215719 (E_RNA) where: Base-Base interactions energy: -59.303 where: short stacking energy: -23.737 Base-Backbone interact. energy: -0.002 local terms energy: -28.910364 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: -17799.153 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -23185.687613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23185.687613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.195586 (E_RNA) where: Base-Base interactions energy: -66.317 where: short stacking energy: -31.731 Base-Backbone interact. energy: -1.830 local terms energy: -35.047888 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -7.994 Dist. restrs. and SS energy: -23082.492 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -18867.327933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18867.327933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.615459 (E_RNA) where: Base-Base interactions energy: -60.005 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.465 local terms energy: -34.145322 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -8.608 Dist. restrs. and SS energy: -18772.712 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -18528.633802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18528.633802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.155135 (E_RNA) where: Base-Base interactions energy: -70.772 where: short stacking energy: -14.650 Base-Backbone interact. energy: -0.119 local terms energy: -25.264565 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -6.411 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: -18432.479 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -18497.207827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18497.207827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.369055 (E_RNA) where: Base-Base interactions energy: -66.932 where: short stacking energy: -27.508 Base-Backbone interact. energy: -0.156 local terms energy: -36.280799 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -8.236 Dist. restrs. and SS energy: -18393.839 (S_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: 119 Temperature: 1.100000 Total energy: -18339.812234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18339.812234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.666377 (E_RNA) where: Base-Base interactions energy: -66.887 where: short stacking energy: -29.854 Base-Backbone interact. energy: -0.000 local terms energy: -32.779482 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -7.209 Dist. restrs. and SS energy: -18240.146 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -18332.525192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18332.525192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.523177 (E_RNA) where: Base-Base interactions energy: -64.234 where: short stacking energy: -25.296 Base-Backbone interact. energy: -0.001 local terms energy: -32.288293 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -9.113 Dist. restrs. and SS energy: -18236.002 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -18311.224147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18311.224147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.690403 (E_RNA) where: Base-Base interactions energy: -67.418 where: short stacking energy: -30.410 Base-Backbone interact. energy: -0.024 local terms energy: -18.247630 where: bonds (distance) C4'-P energy: -1.850 bonds (distance) P-C4' energy: -2.998 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: 1.394 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: -18225.534 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -18370.827571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18370.827571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.686598 (E_RNA) where: Base-Base interactions energy: -63.628 where: short stacking energy: -21.405 Base-Backbone interact. energy: -0.001 local terms energy: -20.057996 where: bonds (distance) C4'-P energy: -2.674 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -1.611 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: -18287.141 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -18110.093911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18110.093911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.081985 (E_RNA) where: Base-Base interactions energy: -56.285 where: short stacking energy: -29.657 Base-Backbone interact. energy: -0.001 local terms energy: -30.796262 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -8.185 Dist. restrs. and SS energy: -18023.012 (S_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: 119 Temperature: 1.350000 Total energy: -18110.384456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18110.384456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.987761 (E_RNA) where: Base-Base interactions energy: -60.337 where: short stacking energy: -23.914 Base-Backbone interact. energy: -0.097 local terms energy: -23.553766 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: 1.642 tors. eta vs tors. theta energy: -7.899 Dist. restrs. and SS energy: -18026.397 (S_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: 120 Temperature: 0.900000 Total energy: -23284.581555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23284.581555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.341238 (E_RNA) where: Base-Base interactions energy: -68.128 where: short stacking energy: -27.797 Base-Backbone interact. energy: -0.408 local terms energy: -31.805447 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: -23184.240 (S_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: 120 Temperature: 0.950000 Total energy: -19001.431540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19001.431540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.350930 (E_RNA) where: Base-Base interactions energy: -61.349 where: short stacking energy: -24.976 Base-Backbone interact. energy: -0.628 local terms energy: -34.374729 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: -18905.081 (S_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: 120 Temperature: 1.000000 Total energy: -18618.037962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18618.037962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.216033 (E_RNA) where: Base-Base interactions energy: -72.965 where: short stacking energy: -21.776 Base-Backbone interact. energy: -0.008 local terms energy: -27.242588 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -1.289 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: -18517.822 (S_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: 120 Temperature: 1.050000 Total energy: -18585.730989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18585.730989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.038006 (E_RNA) where: Base-Base interactions energy: -61.805 where: short stacking energy: -30.422 Base-Backbone interact. energy: -0.102 local terms energy: -30.131063 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: -18493.693 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -18454.600196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18454.600196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.180668 (E_RNA) where: Base-Base interactions energy: -65.992 where: short stacking energy: -32.918 Base-Backbone interact. energy: -0.003 local terms energy: -35.185347 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: -18353.420 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -18450.688262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18450.688262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.692186 (E_RNA) where: Base-Base interactions energy: -66.148 where: short stacking energy: -26.466 Base-Backbone interact. energy: -0.000 local terms energy: -30.543605 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -6.425 Dist. restrs. and SS energy: -18353.996 (S_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: 120 Temperature: 1.200000 Total energy: -18530.316916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18530.316916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.900953 (E_RNA) where: Base-Base interactions energy: -58.916 where: short stacking energy: -28.613 Base-Backbone interact. energy: -0.001 local terms energy: -33.984739 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: -18437.416 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -18483.639452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18483.639452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.428400 (E_RNA) where: Base-Base interactions energy: -61.730 where: short stacking energy: -25.425 Base-Backbone interact. energy: -0.001 local terms energy: -30.697251 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: -18391.211 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -18255.533774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18255.533774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.450568 (E_RNA) where: Base-Base interactions energy: -54.910 where: short stacking energy: -20.785 Base-Backbone interact. energy: -0.003 local terms energy: -25.537646 where: bonds (distance) C4'-P energy: -5.208 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: -18175.083 (S_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: 120 Temperature: 1.350000 Total energy: -18462.470402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18462.470402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.425962 (E_RNA) where: Base-Base interactions energy: -46.242 where: short stacking energy: -18.406 Base-Backbone interact. energy: 0.292 local terms energy: -24.475913 where: bonds (distance) C4'-P energy: 0.851 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: -18392.044 (S_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: 121 Temperature: 0.900000 Total energy: -23357.023961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23357.023961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.504929 (E_RNA) where: Base-Base interactions energy: -64.899 where: short stacking energy: -26.172 Base-Backbone interact. energy: -0.005 local terms energy: -31.600661 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: -23260.519 (S_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: 121 Temperature: 0.950000 Total energy: -19149.009021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19149.009021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.324940 (E_RNA) where: Base-Base interactions energy: -62.205 where: short stacking energy: -29.730 Base-Backbone interact. energy: -0.060 local terms energy: -27.059679 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -4.514 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -7.097 Dist. restrs. and SS energy: -19059.684 (S_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: 121 Temperature: 1.000000 Total energy: -18702.431073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18702.431073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.101156 (E_RNA) where: Base-Base interactions energy: -67.315 where: short stacking energy: -18.313 Base-Backbone interact. energy: -0.049 local terms energy: -23.737734 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: -18611.330 (S_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: 121 Temperature: 1.050000 Total energy: -18712.763125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18712.763125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.508588 (E_RNA) where: Base-Base interactions energy: -68.682 where: short stacking energy: -29.034 Base-Backbone interact. energy: -0.001 local terms energy: -34.825795 where: bonds (distance) C4'-P energy: -7.335 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: -18609.255 (S_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: 121 Temperature: 1.100000 Total energy: -18561.201279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18561.201279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.005558 (E_RNA) where: Base-Base interactions energy: -59.901 where: short stacking energy: -25.348 Base-Backbone interact. energy: -0.159 local terms energy: -26.945470 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: -18474.196 (S_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: 121 Temperature: 1.150000 Total energy: -18665.848131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18665.848131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.458373 (E_RNA) where: Base-Base interactions energy: -60.845 where: short stacking energy: -29.594 Base-Backbone interact. energy: -0.488 local terms energy: -37.125446 where: bonds (distance) C4'-P energy: -7.877 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -9.005 Dist. restrs. and SS energy: -18567.390 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -18578.405997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18578.405997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.399019 (E_RNA) where: Base-Base interactions energy: -63.737 where: short stacking energy: -23.711 Base-Backbone interact. energy: 0.470 local terms energy: -24.132199 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: -18491.007 (S_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: 121 Temperature: 1.250000 Total energy: -18626.369217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18626.369217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.863415 (E_RNA) where: Base-Base interactions energy: -57.035 where: short stacking energy: -21.631 Base-Backbone interact. energy: -0.482 local terms energy: -25.346391 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: 0.415 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: -18543.506 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -18435.131799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18435.131799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.644223 (E_RNA) where: Base-Base interactions energy: -57.584 where: short stacking energy: -24.164 Base-Backbone interact. energy: -0.000 local terms energy: -23.059394 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -4.597 flat angles C4'-P-C4' energy: -1.081 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: -18354.488 (S_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: 121 Temperature: 1.350000 Total energy: -18778.785036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18778.785036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.756174 (E_RNA) where: Base-Base interactions energy: -57.731 where: short stacking energy: -31.950 Base-Backbone interact. energy: -0.055 local terms energy: -32.969505 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -7.829 Dist. restrs. and SS energy: -18688.029 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -23435.297636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23435.297636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.070605 (E_RNA) where: Base-Base interactions energy: -74.240 where: short stacking energy: -28.301 Base-Backbone interact. energy: -0.348 local terms energy: -27.482916 where: bonds (distance) C4'-P energy: -6.760 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: -23333.227 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -19275.843098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19275.843098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.329749 (E_RNA) where: Base-Base interactions energy: -61.324 where: short stacking energy: -28.521 Base-Backbone interact. energy: -0.001 local terms energy: -33.004769 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: -19181.513 (S_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: 122 Temperature: 1.000000 Total energy: -18792.762050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18792.762050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.701922 (E_RNA) where: Base-Base interactions energy: -66.683 where: short stacking energy: -30.172 Base-Backbone interact. energy: -0.000 local terms energy: -35.018367 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -9.805 Dist. restrs. and SS energy: -18691.060 (S_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: 122 Temperature: 1.050000 Total energy: -18790.353849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18790.353849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.437670 (E_RNA) where: Base-Base interactions energy: -76.003 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.119 local terms energy: -22.315557 where: bonds (distance) C4'-P energy: -4.189 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: -18691.916 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -18818.568919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18818.568919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.629367 (E_RNA) where: Base-Base interactions energy: -68.696 where: short stacking energy: -18.912 Base-Backbone interact. energy: -0.010 local terms energy: -23.923846 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: -18725.940 (S_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: 122 Temperature: 1.150000 Total energy: -18705.042817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18705.042817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.738732 (E_RNA) where: Base-Base interactions energy: -61.291 where: short stacking energy: -23.500 Base-Backbone interact. energy: -0.007 local terms energy: -31.440412 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: -18612.304 (S_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: 122 Temperature: 1.200000 Total energy: -18776.977450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18776.977450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.656527 (E_RNA) where: Base-Base interactions energy: -57.614 where: short stacking energy: -24.231 Base-Backbone interact. energy: -0.397 local terms energy: -29.646217 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.411 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: -18689.321 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -18719.002282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18719.002282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.280291 (E_RNA) where: Base-Base interactions energy: -60.681 where: short stacking energy: -24.768 Base-Backbone interact. energy: -0.028 local terms energy: -23.570907 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: -18634.722 (S_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: 122 Temperature: 1.300000 Total energy: -18933.997060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18933.997060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.404131 (E_RNA) where: Base-Base interactions energy: -56.013 where: short stacking energy: -27.836 Base-Backbone interact. energy: 0.158 local terms energy: -30.549638 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -5.204 Dist. restrs. and SS energy: -18847.593 (S_DIST_RNA) chem. 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: -18681.794297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18681.794297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.519821 (E_RNA) where: Base-Base interactions energy: -58.881 where: short stacking energy: -24.688 Base-Backbone interact. energy: -0.093 local terms energy: -25.545907 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.577 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: -18597.274 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -23565.023842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23565.023842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.848289 (E_RNA) where: Base-Base interactions energy: -70.362 where: short stacking energy: -36.171 Base-Backbone interact. energy: -0.000 local terms energy: -31.486171 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.858 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -9.095 Dist. restrs. and SS energy: -23463.176 (S_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: 123 Temperature: 0.950000 Total energy: -19386.442176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19386.442176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.809618 (E_RNA) where: Base-Base interactions energy: -68.829 where: short stacking energy: -34.347 Base-Backbone interact. energy: -0.211 local terms energy: -35.769433 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -8.870 Dist. restrs. and SS energy: -19281.633 (S_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: 123 Temperature: 1.000000 Total energy: -18892.731552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18892.731552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.675058 (E_RNA) where: Base-Base interactions energy: -70.647 where: short stacking energy: -28.259 Base-Backbone interact. energy: -0.005 local terms energy: -25.023232 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: -18797.056 (S_DIST_RNA) chem. 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: -18945.103211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18945.103211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.618809 (E_RNA) where: Base-Base interactions energy: -63.371 where: short stacking energy: -29.117 Base-Backbone interact. energy: -0.668 local terms energy: -33.580488 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -6.031 flat angles C4'-P-C4' energy: -8.924 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: -18847.484 (S_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: 123 Temperature: 1.100000 Total energy: -18895.182604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18895.182604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.888484 (E_RNA) where: Base-Base interactions energy: -63.360 where: short stacking energy: -31.358 Base-Backbone interact. energy: -0.065 local terms energy: -31.463302 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.536 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -7.942 Dist. restrs. and SS energy: -18800.294 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -18910.844322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18910.844322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.605089 (E_RNA) where: Base-Base interactions energy: -60.672 where: short stacking energy: -30.445 Base-Backbone interact. energy: -0.004 local terms energy: -36.928765 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -9.230 Dist. restrs. and SS energy: -18813.239 (S_DIST_RNA) chem. 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: -18839.996882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18839.996882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.503820 (E_RNA) where: Base-Base interactions energy: -58.094 where: short stacking energy: -28.399 Base-Backbone interact. energy: -0.033 local terms energy: -32.377527 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: -18749.493 (S_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: 123 Temperature: 1.250000 Total energy: -19115.718506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19115.718506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.788134 (E_RNA) where: Base-Base interactions energy: -69.221 where: short stacking energy: -34.380 Base-Backbone interact. energy: -0.000 local terms energy: -30.567025 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -5.908 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -8.934 Dist. restrs. and SS energy: -19015.930 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -18889.383094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18889.383094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.206367 (E_RNA) where: Base-Base interactions energy: -65.669 where: short stacking energy: -32.990 Base-Backbone interact. energy: -0.399 local terms energy: -31.138278 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: -18792.177 (S_DIST_RNA) chem. 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: -18861.160605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18861.160605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.683848 (E_RNA) where: Base-Base interactions energy: -57.950 where: short stacking energy: -19.831 Base-Backbone interact. energy: -0.006 local terms energy: -26.727116 where: bonds (distance) C4'-P energy: -5.232 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: -18776.477 (S_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: 124 Temperature: 0.900000 Total energy: -23661.236131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23661.236131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.351546 (E_RNA) where: Base-Base interactions energy: -66.890 where: short stacking energy: -35.253 Base-Backbone interact. energy: -0.000 local terms energy: -31.461455 where: bonds (distance) C4'-P energy: -7.538 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -1.528 tors. eta vs tors. theta energy: -6.890 Dist. restrs. and SS energy: -23562.885 (S_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: 124 Temperature: 0.950000 Total energy: -19497.824475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19497.824475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.348936 (E_RNA) where: Base-Base interactions energy: -65.091 where: short stacking energy: -32.339 Base-Backbone interact. energy: -0.001 local terms energy: -36.256659 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -9.576 Dist. restrs. and SS energy: -19396.476 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -19066.918577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19066.918577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.004506 (E_RNA) where: Base-Base interactions energy: -63.664 where: short stacking energy: -34.034 Base-Backbone interact. energy: -0.001 local terms energy: -34.339781 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -9.342 Dist. restrs. and SS energy: -18968.914 (S_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: 124 Temperature: 1.050000 Total energy: -19004.416860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19004.416860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.903506 (E_RNA) where: Base-Base interactions energy: -62.367 where: short stacking energy: -30.343 Base-Backbone interact. energy: -0.712 local terms energy: -34.824471 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -8.181 Dist. restrs. and SS energy: -18906.513 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -19035.614136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19035.614136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.393684 (E_RNA) where: Base-Base interactions energy: -68.249 where: short stacking energy: -28.536 Base-Backbone interact. energy: 0.760 local terms energy: -28.904722 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -0.196 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: -18939.220 (S_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: 124 Temperature: 1.150000 Total energy: -19034.265850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19034.265850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.857294 (E_RNA) where: Base-Base interactions energy: -58.249 where: short stacking energy: -15.060 Base-Backbone interact. energy: -0.068 local terms energy: -27.539893 where: bonds (distance) C4'-P energy: -3.455 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: -18948.409 (S_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: 124 Temperature: 1.200000 Total energy: -19268.002331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19268.002331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.787601 (E_RNA) where: Base-Base interactions energy: -61.607 where: short stacking energy: -24.263 Base-Backbone interact. energy: -0.562 local terms energy: -27.618484 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: -19178.215 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -18996.185802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18996.185802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.125807 (E_RNA) where: Base-Base interactions energy: -56.638 where: short stacking energy: -25.562 Base-Backbone interact. energy: -0.097 local terms energy: -27.391117 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: -18912.060 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -19028.106419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19028.106419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.449646 (E_RNA) where: Base-Base interactions energy: -64.427 where: short stacking energy: -19.149 Base-Backbone interact. energy: -0.004 local terms energy: -28.018853 where: bonds (distance) C4'-P energy: -2.815 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: -18935.657 (S_DIST_RNA) chem. 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: -19031.569750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19031.569750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.009011 (E_RNA) where: Base-Base interactions energy: -64.044 where: short stacking energy: -25.041 Base-Backbone interact. energy: -0.017 local terms energy: -26.947538 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -3.899 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: -18940.561 (S_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: 125 Temperature: 0.900000 Total energy: -23780.602127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23780.602127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.749991 (E_RNA) where: Base-Base interactions energy: -68.991 where: short stacking energy: -31.508 Base-Backbone interact. energy: -0.000 local terms energy: -37.758770 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -8.546 Dist. restrs. and SS energy: -23673.852 (S_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: 125 Temperature: 0.950000 Total energy: -19623.374605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19623.374605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.508102 (E_RNA) where: Base-Base interactions energy: -64.782 where: short stacking energy: -33.523 Base-Backbone interact. energy: -0.002 local terms energy: -30.723971 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -8.222 Dist. restrs. and SS energy: -19527.867 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -19194.590232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19194.590232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.430975 (E_RNA) where: Base-Base interactions energy: -68.763 where: short stacking energy: -35.023 Base-Backbone interact. energy: -1.561 local terms energy: -39.106319 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -9.391 Dist. restrs. and SS energy: -19085.159 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -19175.600935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19175.600935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.563133 (E_RNA) where: Base-Base interactions energy: -63.551 where: short stacking energy: -25.398 Base-Backbone interact. energy: -0.009 local terms energy: -27.002982 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -0.946 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: -19085.038 (S_DIST_RNA) chem. 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: -19134.468346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19134.468346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.253415 (E_RNA) where: Base-Base interactions energy: -67.339 where: short stacking energy: -30.206 Base-Backbone interact. energy: -0.095 local terms energy: -29.819397 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -4.645 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: -19037.215 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -19448.932337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19448.932337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.006724 (E_RNA) where: Base-Base interactions energy: -63.062 where: short stacking energy: -32.937 Base-Backbone interact. energy: -0.000 local terms energy: -31.943991 where: bonds (distance) C4'-P energy: -6.562 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -8.152 Dist. restrs. and SS energy: -19353.926 (S_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: 125 Temperature: 1.200000 Total energy: -19160.718385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19160.718385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.663404 (E_RNA) where: Base-Base interactions energy: -61.334 where: short stacking energy: -25.685 Base-Backbone interact. energy: -0.620 local terms energy: -27.709328 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: -19071.055 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -19173.669353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19173.669353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.313302 (E_RNA) where: Base-Base interactions energy: -64.117 where: short stacking energy: -30.037 Base-Backbone interact. energy: -0.000 local terms energy: -35.196234 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -8.582 Dist. restrs. and SS energy: -19074.356 (S_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: 125 Temperature: 1.300000 Total energy: -19205.701296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19205.701296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.452459 (E_RNA) where: Base-Base interactions energy: -56.239 where: short stacking energy: -29.143 Base-Backbone interact. energy: -0.278 local terms energy: -26.935379 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: -19122.249 (S_DIST_RNA) chem. 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: -19248.379464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19248.379464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.198050 (E_RNA) where: Base-Base interactions energy: -54.070 where: short stacking energy: -20.771 Base-Backbone interact. energy: -0.348 local terms energy: -26.780043 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -5.182 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: -19167.181 (S_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: 126 Temperature: 0.900000 Total energy: -23874.077326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23874.077326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.881863 (E_RNA) where: Base-Base interactions energy: -67.131 where: short stacking energy: -24.496 Base-Backbone interact. energy: -0.003 local terms energy: -35.748301 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: -23771.195 (S_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: 126 Temperature: 0.950000 Total energy: -19725.113571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19725.113571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.343436 (E_RNA) where: Base-Base interactions energy: -64.115 where: short stacking energy: -26.119 Base-Backbone interact. energy: -0.126 local terms energy: -36.103013 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -7.260 Dist. restrs. and SS energy: -19624.770 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -19278.446224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19278.446224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.876441 (E_RNA) where: Base-Base interactions energy: -67.924 where: short stacking energy: -24.843 Base-Backbone interact. energy: -0.023 local terms energy: -32.929338 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: -19177.570 (S_DIST_RNA) chem. 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: -19306.130235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19306.130235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.145500 (E_RNA) where: Base-Base interactions energy: -68.117 where: short stacking energy: -31.086 Base-Backbone interact. energy: -0.002 local terms energy: -32.026124 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: -19205.985 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -19568.546314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19568.546314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.355343 (E_RNA) where: Base-Base interactions energy: -63.620 where: short stacking energy: -23.546 Base-Backbone interact. energy: -0.001 local terms energy: -27.734795 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -6.599 Dist. restrs. and SS energy: -19477.191 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -19282.203652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19282.203652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.392773 (E_RNA) where: Base-Base interactions energy: -65.909 where: short stacking energy: -25.060 Base-Backbone interact. energy: -0.326 local terms energy: -29.157522 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: -19186.811 (S_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: 126 Temperature: 1.200000 Total energy: -19314.838909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19314.838909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.145095 (E_RNA) where: Base-Base interactions energy: -59.295 where: short stacking energy: -26.316 Base-Backbone interact. energy: -0.001 local terms energy: -29.848542 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -9.346 Dist. restrs. and SS energy: -19225.694 (S_DIST_RNA) chem. 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: -19332.858805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19332.858805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.394159 (E_RNA) where: Base-Base interactions energy: -55.270 where: short stacking energy: -26.183 Base-Backbone interact. energy: -0.097 local terms energy: -25.027382 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: -19252.465 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -19390.746879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19390.746879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.534804 (E_RNA) where: Base-Base interactions energy: -60.360 where: short stacking energy: -32.566 Base-Backbone interact. energy: -0.875 local terms energy: -27.299521 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -4.561 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: -19302.212 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -19396.800967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19396.800967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.120418 (E_RNA) where: Base-Base interactions energy: -58.890 where: short stacking energy: -25.983 Base-Backbone interact. energy: -0.857 local terms energy: -30.373870 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: -19306.681 (S_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: 127 Temperature: 0.900000 Total energy: -23977.139594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23977.139594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.418365 (E_RNA) where: Base-Base interactions energy: -73.799 where: short stacking energy: -26.038 Base-Backbone interact. energy: -0.016 local terms energy: -25.602735 where: bonds (distance) C4'-P energy: -4.848 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: -23877.721 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -19840.392337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19840.392337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.313255 (E_RNA) where: Base-Base interactions energy: -65.644 where: short stacking energy: -30.866 Base-Backbone interact. energy: -0.013 local terms energy: -25.655566 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.853 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -0.857 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: -19749.079 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -19412.317831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19412.317831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.023368 (E_RNA) where: Base-Base interactions energy: -66.088 where: short stacking energy: -29.157 Base-Backbone interact. energy: -0.008 local terms energy: -30.927332 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -1.476 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: -19315.294 (S_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: 127 Temperature: 1.050000 Total energy: -19687.284435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19687.284435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.220813 (E_RNA) where: Base-Base interactions energy: -61.744 where: short stacking energy: -30.343 Base-Backbone interact. energy: -0.401 local terms energy: -35.075660 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: -19590.064 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -19451.286117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19451.286117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.247429 (E_RNA) where: Base-Base interactions energy: -64.832 where: short stacking energy: -33.914 Base-Backbone interact. energy: -1.165 local terms energy: -31.250415 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.168 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: -19354.039 (S_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: 127 Temperature: 1.150000 Total energy: -19430.091984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19430.091984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.699168 (E_RNA) where: Base-Base interactions energy: -66.096 where: short stacking energy: -32.210 Base-Backbone interact. energy: -0.907 local terms energy: -29.695393 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -0.280 tors. eta vs tors. theta energy: -7.318 Dist. restrs. and SS energy: -19333.393 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -19420.460231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19420.460231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.981836 (E_RNA) where: Base-Base interactions energy: -65.987 where: short stacking energy: -24.815 Base-Backbone interact. energy: -0.000 local terms energy: -27.994809 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: -19326.478 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -19513.527844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19513.527844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.109205 (E_RNA) where: Base-Base interactions energy: -65.982 where: short stacking energy: -31.797 Base-Backbone interact. energy: -0.003 local terms energy: -29.125150 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -8.039 Dist. restrs. and SS energy: -19418.419 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -19507.152474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19507.152474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.318797 (E_RNA) where: Base-Base interactions energy: -59.964 where: short stacking energy: -27.517 Base-Backbone interact. energy: 0.925 local terms energy: -29.279830 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: -19418.834 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -19566.252209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19566.252209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.700782 (E_RNA) where: Base-Base interactions energy: -57.542 where: short stacking energy: -26.112 Base-Backbone interact. energy: -0.057 local terms energy: -24.101920 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: -19484.551 (S_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: 128 Temperature: 0.900000 Total energy: -24064.056628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24064.056628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.311245 (E_RNA) where: Base-Base interactions energy: -67.308 where: short stacking energy: -32.786 Base-Backbone interact. energy: -0.610 local terms energy: -35.393614 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -9.314 Dist. restrs. and SS energy: -23960.745 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -19968.784396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19968.784396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.504222 (E_RNA) where: Base-Base interactions energy: -69.566 where: short stacking energy: -26.105 Base-Backbone interact. energy: -0.214 local terms energy: -24.724520 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -3.192 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: -19874.280 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -19798.475639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19798.475639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.022980 (E_RNA) where: Base-Base interactions energy: -68.883 where: short stacking energy: -36.047 Base-Backbone interact. energy: -0.000 local terms energy: -34.140200 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -8.000 Dist. restrs. and SS energy: -19695.453 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -19528.359470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19528.359470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.788640 (E_RNA) where: Base-Base interactions energy: -60.331 where: short stacking energy: -24.999 Base-Backbone interact. energy: -0.067 local terms energy: -31.390595 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: -19436.571 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -19589.684994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19589.684994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.250542 (E_RNA) where: Base-Base interactions energy: -65.145 where: short stacking energy: -32.011 Base-Backbone interact. energy: -0.000 local terms energy: -30.104759 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: -19494.434 (S_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: 128 Temperature: 1.150000 Total energy: -19556.021179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19556.021179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.499371 (E_RNA) where: Base-Base interactions energy: -62.466 where: short stacking energy: -28.932 Base-Backbone interact. energy: -0.044 local terms energy: -30.989104 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: -19462.522 (S_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: 128 Temperature: 1.200000 Total energy: -19674.182603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19674.182603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.610038 (E_RNA) where: Base-Base interactions energy: -72.016 where: short stacking energy: -21.096 Base-Backbone interact. energy: -0.007 local terms energy: -24.587146 where: bonds (distance) C4'-P energy: -5.232 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -0.534 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: -19577.573 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -19538.250584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19538.250584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.712250 (E_RNA) where: Base-Base interactions energy: -66.900 where: short stacking energy: -33.763 Base-Backbone interact. energy: -0.164 local terms energy: -27.648524 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -8.213 Dist. restrs. and SS energy: -19443.538 (S_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: 128 Temperature: 1.300000 Total energy: -19760.095088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19760.095088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.507939 (E_RNA) where: Base-Base interactions energy: -66.029 where: short stacking energy: -28.515 Base-Backbone interact. energy: -0.131 local terms energy: -25.348021 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -5.119 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -7.189 Dist. restrs. and SS energy: -19668.587 (S_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: 128 Temperature: 1.350000 Total energy: -19659.516476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19659.516476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.900979 (E_RNA) where: Base-Base interactions energy: -57.365 where: short stacking energy: -22.954 Base-Backbone interact. energy: 0.519 local terms energy: -26.054955 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: -19576.615 (S_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: 129 Temperature: 0.900000 Total energy: -24176.715608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24176.715608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.664635 (E_RNA) where: Base-Base interactions energy: -67.552 where: short stacking energy: -35.705 Base-Backbone interact. energy: -0.000 local terms energy: -36.112275 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.095 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -8.011 Dist. restrs. and SS energy: -24073.051 (S_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: 129 Temperature: 0.950000 Total energy: -20075.735869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20075.735869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.002152 (E_RNA) where: Base-Base interactions energy: -60.609 where: short stacking energy: -28.278 Base-Backbone interact. energy: -0.001 local terms energy: -36.392141 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -8.029 Dist. restrs. and SS energy: -19978.734 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -19904.170490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19904.170490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.608525 (E_RNA) where: Base-Base interactions energy: -64.397 where: short stacking energy: -24.397 Base-Backbone interact. energy: -0.691 local terms energy: -29.520076 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -0.299 tors. eta vs tors. theta energy: -9.145 Dist. restrs. and SS energy: -19809.562 (S_DIST_RNA) chem. 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: -19717.352357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19717.352357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.056988 (E_RNA) where: Base-Base interactions energy: -68.596 where: short stacking energy: -33.213 Base-Backbone interact. energy: -1.206 local terms energy: -34.254261 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -8.296 Dist. restrs. and SS energy: -19613.295 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -19647.950768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19647.950768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.617768 (E_RNA) where: Base-Base interactions energy: -62.878 where: short stacking energy: -29.146 Base-Backbone interact. energy: -0.000 local terms energy: -31.739220 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -7.991 Dist. restrs. and SS energy: -19553.333 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -19787.645338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19787.645338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.980517 (E_RNA) where: Base-Base interactions energy: -64.238 where: short stacking energy: -25.042 Base-Backbone interact. energy: -0.010 local terms energy: -24.731965 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: -19698.665 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -19698.992723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19698.992723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.493354 (E_RNA) where: Base-Base interactions energy: -61.060 where: short stacking energy: -28.553 Base-Backbone interact. energy: -0.001 local terms energy: -28.432687 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: -19609.499 (S_DIST_RNA) chem. 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: -19897.378112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19897.378112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.382723 (E_RNA) where: Base-Base interactions energy: -61.147 where: short stacking energy: -28.349 Base-Backbone interact. energy: -0.381 local terms energy: -30.855117 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: -19804.995 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -19698.298496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19698.298496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.769485 (E_RNA) where: Base-Base interactions energy: -64.431 where: short stacking energy: -30.638 Base-Backbone interact. energy: -0.000 local terms energy: -27.337969 where: bonds (distance) C4'-P energy: -2.685 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: -19606.529 (S_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: 129 Temperature: 1.350000 Total energy: -20006.067666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20006.067666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.942006 (E_RNA) where: Base-Base interactions energy: -61.732 where: short stacking energy: -24.421 Base-Backbone interact. energy: -0.089 local terms energy: -26.121140 where: bonds (distance) C4'-P energy: -3.088 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: -19918.126 (S_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: 130 Temperature: 0.900000 Total energy: -24272.258176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24272.258176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.781582 (E_RNA) where: Base-Base interactions energy: -63.876 where: short stacking energy: -26.570 Base-Backbone interact. energy: -0.001 local terms energy: -32.904843 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -8.441 Dist. restrs. and SS energy: -24175.477 (S_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: 130 Temperature: 0.950000 Total energy: -20206.356809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20206.356809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.764902 (E_RNA) where: Base-Base interactions energy: -68.461 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.656 local terms energy: -24.647961 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -1.445 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: -20112.592 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -20026.318935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20026.318935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.396579 (E_RNA) where: Base-Base interactions energy: -69.104 where: short stacking energy: -34.237 Base-Backbone interact. energy: -0.000 local terms energy: -30.292278 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: -19926.922 (S_DIST_RNA) chem. 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: -19850.191615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19850.191615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.975573 (E_RNA) where: Base-Base interactions energy: -70.280 where: short stacking energy: -36.547 Base-Backbone interact. energy: -0.000 local terms energy: -32.695897 where: bonds (distance) C4'-P energy: -4.269 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -8.950 Dist. restrs. and SS energy: -19747.216 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -19940.942246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19940.942246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.418266 (E_RNA) where: Base-Base interactions energy: -65.788 where: short stacking energy: -31.640 Base-Backbone interact. energy: -0.000 local terms energy: -30.629921 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -9.247 flat angles P-C4'-P energy: 1.083 tors. eta vs tors. theta energy: -8.789 Dist. restrs. and SS energy: -19844.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -19773.607303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19773.607303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.783442 (E_RNA) where: Base-Base interactions energy: -63.906 where: short stacking energy: -35.455 Base-Backbone interact. energy: -0.643 local terms energy: -36.234875 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: -19672.824 (S_DIST_RNA) chem. 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: -20027.673313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20027.673313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.625048 (E_RNA) where: Base-Base interactions energy: -60.193 where: short stacking energy: -21.691 Base-Backbone interact. energy: -0.006 local terms energy: -30.425508 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -5.238 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: -19937.048 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -19868.056627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19868.056627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.345507 (E_RNA) where: Base-Base interactions energy: -62.889 where: short stacking energy: -23.886 Base-Backbone interact. energy: -0.028 local terms energy: -22.428466 where: bonds (distance) C4'-P energy: -1.300 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: -19782.711 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -20212.295054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20212.295054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.068059 (E_RNA) where: Base-Base interactions energy: -57.845 where: short stacking energy: -24.971 Base-Backbone interact. energy: -0.023 local terms energy: -28.200114 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -0.434 tors. eta vs tors. theta energy: -5.796 Dist. restrs. and SS energy: -20126.227 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -19863.984578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19863.984578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.570176 (E_RNA) where: Base-Base interactions energy: -60.439 where: short stacking energy: -25.764 Base-Backbone interact. energy: -0.011 local terms energy: -24.120009 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -2.998 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: -19779.414 (S_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: 131 Temperature: 0.900000 Total energy: -24368.453239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24368.453239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.938922 (E_RNA) where: Base-Base interactions energy: -66.781 where: short stacking energy: -24.766 Base-Backbone interact. energy: -0.001 local terms energy: -34.157001 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: -24267.514 (S_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: 131 Temperature: 0.950000 Total energy: -20280.604605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20280.604605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.981993 (E_RNA) where: Base-Base interactions energy: -75.881 where: short stacking energy: -20.391 Base-Backbone interact. energy: -0.039 local terms energy: -25.062524 where: bonds (distance) C4'-P energy: -7.456 bonds (distance) P-C4' energy: -4.122 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: -20179.623 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -20137.928262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20137.928262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.543666 (E_RNA) where: Base-Base interactions energy: -66.071 where: short stacking energy: -26.261 Base-Backbone interact. energy: -0.025 local terms energy: -31.447361 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: -20040.385 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -20042.064548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20042.064548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.780988 (E_RNA) where: Base-Base interactions energy: -64.666 where: short stacking energy: -30.400 Base-Backbone interact. energy: -0.023 local terms energy: -35.091783 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -9.248 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -7.565 Dist. restrs. and SS energy: -19942.284 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -19979.490159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19979.490159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.819618 (E_RNA) where: Base-Base interactions energy: -66.111 where: short stacking energy: -33.793 Base-Backbone interact. energy: -0.354 local terms energy: -31.355291 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -8.527 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -7.952 Dist. restrs. and SS energy: -19881.671 (S_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: 131 Temperature: 1.150000 Total energy: -20185.796744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20185.796744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.656100 (E_RNA) where: Base-Base interactions energy: -61.229 where: short stacking energy: -24.121 Base-Backbone interact. energy: -0.911 local terms energy: -32.516050 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -7.634 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: -20091.141 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -19931.352090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19931.352090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.868514 (E_RNA) where: Base-Base interactions energy: -60.824 where: short stacking energy: -24.619 Base-Backbone interact. energy: -1.343 local terms energy: -36.701573 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: -19832.484 (S_DIST_RNA) chem. 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: -20453.888666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20453.888666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.982271 (E_RNA) where: Base-Base interactions energy: -45.741 where: short stacking energy: -18.268 Base-Backbone interact. energy: -0.093 local terms energy: -29.148673 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: -20378.906 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -20033.051172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20033.051172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.419751 (E_RNA) where: Base-Base interactions energy: -62.436 where: short stacking energy: -28.328 Base-Backbone interact. energy: -0.242 local terms energy: -33.742033 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: -19936.631 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -20019.382468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20019.382468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.266657 (E_RNA) where: Base-Base interactions energy: -53.183 where: short stacking energy: -17.656 Base-Backbone interact. energy: -0.456 local terms energy: -29.627256 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: -19936.116 (S_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: 132 Temperature: 0.900000 Total energy: -24446.190763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24446.190763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.144600 (E_RNA) where: Base-Base interactions energy: -71.855 where: short stacking energy: -27.292 Base-Backbone interact. energy: -0.001 local terms energy: -32.288248 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -7.782 Dist. restrs. and SS energy: -24342.046 (S_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: 132 Temperature: 0.950000 Total energy: -20400.133220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20400.133220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.061112 (E_RNA) where: Base-Base interactions energy: -66.668 where: short stacking energy: -25.819 Base-Backbone interact. energy: -0.000 local terms energy: -22.392455 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: 1.440 tors. eta vs tors. theta energy: -5.674 Dist. restrs. and SS energy: -20311.072 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -20268.272268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20268.272268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.308033 (E_RNA) where: Base-Base interactions energy: -69.119 where: short stacking energy: -26.189 Base-Backbone interact. energy: -0.001 local terms energy: -29.188492 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: -20169.964 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -20141.089922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20141.089922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.110258 (E_RNA) where: Base-Base interactions energy: -64.389 where: short stacking energy: -30.636 Base-Backbone interact. energy: -0.000 local terms energy: -31.721082 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: -20044.980 (S_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: 132 Temperature: 1.100000 Total energy: -20318.224183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20318.224183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.664712 (E_RNA) where: Base-Base interactions energy: -64.512 where: short stacking energy: -28.793 Base-Backbone interact. energy: -0.000 local terms energy: -36.152663 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -8.401 Dist. restrs. and SS energy: -20217.559 (S_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: 132 Temperature: 1.150000 Total energy: -20102.753095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20102.753095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.864692 (E_RNA) where: Base-Base interactions energy: -70.332 where: short stacking energy: -34.806 Base-Backbone interact. energy: -0.001 local terms energy: -27.532138 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: 1.147 tors. eta vs tors. theta energy: -8.658 Dist. restrs. and SS energy: -20004.888 (S_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: 132 Temperature: 1.200000 Total energy: -20798.013296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20798.013296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.424408 (E_RNA) where: Base-Base interactions energy: -61.493 where: short stacking energy: -25.879 Base-Backbone interact. energy: -0.045 local terms energy: -31.886083 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -7.084 Dist. restrs. and SS energy: -20704.589 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -20068.822066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20068.822066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.310467 (E_RNA) where: Base-Base interactions energy: -56.721 where: short stacking energy: -22.607 Base-Backbone interact. energy: -0.004 local terms energy: -26.585876 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: -19985.512 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -20195.362109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20195.362109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.463708 (E_RNA) where: Base-Base interactions energy: -57.168 where: short stacking energy: -29.276 Base-Backbone interact. energy: -1.129 local terms energy: -31.165998 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: -20105.898 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -20185.262245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20185.262245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.887246 (E_RNA) where: Base-Base interactions energy: -51.038 where: short stacking energy: -21.632 Base-Backbone interact. energy: -0.175 local terms energy: -30.674151 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.766 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: -20103.375 (S_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: 133 Temperature: 0.900000 Total energy: -24534.480126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24534.480126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.708426 (E_RNA) where: Base-Base interactions energy: -66.024 where: short stacking energy: -31.940 Base-Backbone interact. energy: -0.686 local terms energy: -36.998299 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -10.025 Dist. restrs. and SS energy: -24430.772 (S_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: 133 Temperature: 0.950000 Total energy: -20542.413938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20542.413938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.370647 (E_RNA) where: Base-Base interactions energy: -59.074 where: short stacking energy: -24.393 Base-Backbone interact. energy: -0.060 local terms energy: -30.236127 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: -20453.043 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -20382.677036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20382.677036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.248582 (E_RNA) where: Base-Base interactions energy: -61.747 where: short stacking energy: -30.447 Base-Backbone interact. energy: -0.000 local terms energy: -28.501451 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -1.067 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: -20292.428 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -20428.981624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20428.981624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.419082 (E_RNA) where: Base-Base interactions energy: -65.023 where: short stacking energy: -25.878 Base-Backbone interact. energy: 0.507 local terms energy: -31.903243 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: -20332.563 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -20250.604437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20250.604437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.984841 (E_RNA) where: Base-Base interactions energy: -57.179 where: short stacking energy: -29.006 Base-Backbone interact. energy: -0.626 local terms energy: -34.179614 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: -20158.620 (S_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: 133 Temperature: 1.150000 Total energy: -20943.650344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20943.650344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.929974 (E_RNA) where: Base-Base interactions energy: -70.952 where: short stacking energy: -33.758 Base-Backbone interact. energy: -0.417 local terms energy: -34.561319 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -8.753 Dist. restrs. and SS energy: -20837.720 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -20226.881874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20226.881874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.259594 (E_RNA) where: Base-Base interactions energy: -64.915 where: short stacking energy: -32.631 Base-Backbone interact. energy: -0.008 local terms energy: -31.336512 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -1.657 tors. eta vs tors. theta energy: -9.172 Dist. restrs. and SS energy: -20130.622 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -20326.546617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20326.546617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.988602 (E_RNA) where: Base-Base interactions energy: -56.820 where: short stacking energy: -20.580 Base-Backbone interact. energy: -0.041 local terms energy: -29.127304 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: -20240.558 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -20261.359055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20261.359055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.439482 (E_RNA) where: Base-Base interactions energy: -61.704 where: short stacking energy: -21.935 Base-Backbone interact. energy: -0.000 local terms energy: -32.735607 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: -20166.920 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -20362.456044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20362.456044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.556067 (E_RNA) where: Base-Base interactions energy: -62.052 where: short stacking energy: -29.805 Base-Backbone interact. energy: -0.000 local terms energy: -26.503971 where: bonds (distance) C4'-P energy: -2.165 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -7.056 Dist. restrs. and SS energy: -20273.900 (S_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: 134 Temperature: 0.900000 Total energy: -24637.983885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24637.983885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.376058 (E_RNA) where: Base-Base interactions energy: -67.885 where: short stacking energy: -34.846 Base-Backbone interact. energy: -0.001 local terms energy: -31.490167 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -6.935 Dist. restrs. and SS energy: -24538.608 (S_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: 134 Temperature: 0.950000 Total energy: -20696.651808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20696.651808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.770187 (E_RNA) where: Base-Base interactions energy: -66.702 where: short stacking energy: -23.033 Base-Backbone interact. energy: -0.009 local terms energy: -34.058694 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: -20595.882 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -20531.446960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20531.446960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.922836 (E_RNA) where: Base-Base interactions energy: -71.819 where: short stacking energy: -27.690 Base-Backbone interact. energy: -0.366 local terms energy: -22.738282 where: bonds (distance) C4'-P energy: -1.189 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: -20436.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -20511.025924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20511.025924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.432919 (E_RNA) where: Base-Base interactions energy: -69.947 where: short stacking energy: -26.981 Base-Backbone interact. energy: 0.411 local terms energy: -28.897118 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -0.621 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: -20412.593 (S_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: 134 Temperature: 1.100000 Total energy: -21080.057904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21080.057904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.392904 (E_RNA) where: Base-Base interactions energy: -64.024 where: short stacking energy: -25.677 Base-Backbone interact. energy: -0.684 local terms energy: -29.685039 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: -20985.665 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -20386.418833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20386.418833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.729902 (E_RNA) where: Base-Base interactions energy: -64.951 where: short stacking energy: -33.196 Base-Backbone interact. energy: -0.237 local terms energy: -32.541862 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: -20288.689 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -20504.713471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20504.713471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.731875 (E_RNA) where: Base-Base interactions energy: -56.088 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.296 local terms energy: -26.347455 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: -20421.982 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -20376.284824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20376.284824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.878343 (E_RNA) where: Base-Base interactions energy: -55.302 where: short stacking energy: -28.375 Base-Backbone interact. energy: -0.001 local terms energy: -30.575326 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -9.052 Dist. restrs. and SS energy: -20290.406 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -20566.666821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20566.666821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.769428 (E_RNA) where: Base-Base interactions energy: -61.588 where: short stacking energy: -29.220 Base-Backbone interact. energy: 0.336 local terms energy: -28.518071 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -7.464 Dist. restrs. and SS energy: -20476.897 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -20408.055548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20408.055548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.834773 (E_RNA) where: Base-Base interactions energy: -56.051 where: short stacking energy: -23.176 Base-Backbone interact. energy: -0.818 local terms energy: -29.965589 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -6.663 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -6.721 Dist. restrs. and SS energy: -20321.221 (S_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: 135 Temperature: 0.900000 Total energy: -24747.352599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24747.352599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.251314 (E_RNA) where: Base-Base interactions energy: -69.077 where: short stacking energy: -33.581 Base-Backbone interact. energy: -0.000 local terms energy: -37.174212 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -6.920 Dist. restrs. and SS energy: -24641.101 (S_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: 135 Temperature: 0.950000 Total energy: -20800.665633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20800.665633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.310239 (E_RNA) where: Base-Base interactions energy: -64.069 where: short stacking energy: -27.910 Base-Backbone interact. energy: 0.081 local terms energy: -30.322163 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: -20706.355 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -20623.041617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20623.041617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.865257 (E_RNA) where: Base-Base interactions energy: -62.916 where: short stacking energy: -27.855 Base-Backbone interact. energy: -0.016 local terms energy: -30.932950 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: -20529.176 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -21188.537079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21188.537079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.800546 (E_RNA) where: Base-Base interactions energy: -68.244 where: short stacking energy: -31.232 Base-Backbone interact. energy: -0.017 local terms energy: -24.540033 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -1.287 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: -21095.737 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -20639.690107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20639.690107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.420293 (E_RNA) where: Base-Base interactions energy: -62.829 where: short stacking energy: -25.038 Base-Backbone interact. energy: -0.002 local terms energy: -31.589302 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: -20545.270 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -20640.366500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20640.366500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.016634 (E_RNA) where: Base-Base interactions energy: -63.797 where: short stacking energy: -22.489 Base-Backbone interact. energy: -0.581 local terms energy: -27.638621 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.878 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: -20548.350 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -20542.729125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20542.729125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.106599 (E_RNA) where: Base-Base interactions energy: -74.475 where: short stacking energy: -22.647 Base-Backbone interact. energy: 1.681 local terms energy: -27.312600 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: -20442.623 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -20711.443969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20711.443969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.063913 (E_RNA) where: Base-Base interactions energy: -64.398 where: short stacking energy: -24.614 Base-Backbone interact. energy: -0.067 local terms energy: -22.599083 where: bonds (distance) C4'-P energy: -3.882 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: -20624.380 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -20574.231368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20574.231368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.400134 (E_RNA) where: Base-Base interactions energy: -61.033 where: short stacking energy: -26.585 Base-Backbone interact. energy: 2.708 local terms energy: -33.074412 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.952 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: -20482.831 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -20585.255601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20585.255601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.427424 (E_RNA) where: Base-Base interactions energy: -59.482 where: short stacking energy: -32.498 Base-Backbone interact. energy: -0.001 local terms energy: -29.943932 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -3.877 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -1.776 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: -20495.828 (S_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: 136 Temperature: 0.900000 Total energy: -24847.758060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24847.758060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.491068 (E_RNA) where: Base-Base interactions energy: -73.954 where: short stacking energy: -32.080 Base-Backbone interact. energy: -0.000 local terms energy: -28.536979 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -5.987 Dist. restrs. and SS energy: -24745.267 (S_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: 136 Temperature: 0.950000 Total energy: -20909.500352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20909.500352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.635908 (E_RNA) where: Base-Base interactions energy: -65.106 where: short stacking energy: -35.274 Base-Backbone interact. energy: -0.022 local terms energy: -38.508831 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -9.654 Dist. restrs. and SS energy: -20805.864 (S_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: 136 Temperature: 1.000000 Total energy: -21292.815358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21292.815358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.971722 (E_RNA) where: Base-Base interactions energy: -71.717 where: short stacking energy: -27.467 Base-Backbone interact. energy: -0.167 local terms energy: -26.086930 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -0.152 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: -21194.844 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -20768.803507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20768.803507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.333926 (E_RNA) where: Base-Base interactions energy: -64.669 where: short stacking energy: -29.595 Base-Backbone interact. energy: -0.798 local terms energy: -28.867345 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -3.486 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: -20674.470 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -20753.355416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20753.355416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.755259 (E_RNA) where: Base-Base interactions energy: -58.517 where: short stacking energy: -29.187 Base-Backbone interact. energy: -0.001 local terms energy: -32.237293 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: -20662.600 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -20821.013566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20821.013566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.312432 (E_RNA) where: Base-Base interactions energy: -64.218 where: short stacking energy: -22.088 Base-Backbone interact. energy: -0.526 local terms energy: -35.567928 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: -20720.701 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -20853.000952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20853.000952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.691775 (E_RNA) where: Base-Base interactions energy: -58.280 where: short stacking energy: -19.942 Base-Backbone interact. energy: -0.338 local terms energy: -33.074089 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: -20761.309 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -20719.998014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20719.998014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.014456 (E_RNA) where: Base-Base interactions energy: -66.547 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.026 local terms energy: -28.440937 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: -20624.984 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -20753.641881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20753.641881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.134667 (E_RNA) where: Base-Base interactions energy: -49.554 where: short stacking energy: -22.130 Base-Backbone interact. energy: -0.036 local terms energy: -33.545112 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: -20670.507 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -20736.853642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20736.853642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.377253 (E_RNA) where: Base-Base interactions energy: -56.798 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.023 local terms energy: -28.556290 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -7.229 Dist. restrs. and SS energy: -20651.476 (S_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: 137 Temperature: 0.900000 Total energy: -24966.336422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24966.336422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.951993 (E_RNA) where: Base-Base interactions energy: -65.149 where: short stacking energy: -20.589 Base-Backbone interact. energy: -0.013 local terms energy: -29.789221 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: -24871.384 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -21424.524143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21424.524143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.929072 (E_RNA) where: Base-Base interactions energy: -66.719 where: short stacking energy: -30.330 Base-Backbone interact. energy: -0.359 local terms energy: -36.851078 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: -21320.595 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -21039.449214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21039.449214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.840596 (E_RNA) where: Base-Base interactions energy: -64.748 where: short stacking energy: -33.641 Base-Backbone interact. energy: -0.290 local terms energy: -35.802825 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: -20938.609 (S_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: 137 Temperature: 1.050000 Total energy: -20866.691424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20866.691424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.451466 (E_RNA) where: Base-Base interactions energy: -62.635 where: short stacking energy: -26.348 Base-Backbone interact. energy: -0.552 local terms energy: -29.264151 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: -20774.240 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -20901.468860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20901.468860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.927793 (E_RNA) where: Base-Base interactions energy: -61.051 where: short stacking energy: -26.137 Base-Backbone interact. energy: -0.142 local terms energy: -33.735136 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: -20806.541 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -21027.333649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21027.333649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.997108 (E_RNA) where: Base-Base interactions energy: -60.246 where: short stacking energy: -25.958 Base-Backbone interact. energy: 1.710 local terms energy: -29.461210 where: bonds (distance) C4'-P energy: -8.458 bonds (distance) P-C4' energy: -6.870 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -0.661 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: -20939.337 (S_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: 137 Temperature: 1.200000 Total energy: -21155.351025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21155.351025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.611611 (E_RNA) where: Base-Base interactions energy: -53.551 where: short stacking energy: -21.440 Base-Backbone interact. energy: -0.048 local terms energy: -29.012155 where: bonds (distance) C4'-P energy: -7.190 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: -21072.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -20931.388208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20931.388208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.562181 (E_RNA) where: Base-Base interactions energy: -66.422 where: short stacking energy: -34.666 Base-Backbone interact. energy: -0.000 local terms energy: -30.139823 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: -20834.826 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -20849.990910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20849.990910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.684480 (E_RNA) where: Base-Base interactions energy: -64.775 where: short stacking energy: -26.983 Base-Backbone interact. energy: -0.001 local terms energy: -31.908793 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: -20753.306 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -20929.540687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20929.540687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.410436 (E_RNA) where: Base-Base interactions energy: -51.838 where: short stacking energy: -23.238 Base-Backbone interact. energy: -0.075 local terms energy: -27.497158 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: -20850.130 (S_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: 138 Temperature: 0.900000 Total energy: -25089.708972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25089.708972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.905207 (E_RNA) where: Base-Base interactions energy: -67.130 where: short stacking energy: -29.832 Base-Backbone interact. energy: -0.769 local terms energy: -33.006670 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -7.238 Dist. restrs. and SS energy: -24988.804 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -21500.007171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21500.007171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.608896 (E_RNA) where: Base-Base interactions energy: -75.586 where: short stacking energy: -22.921 Base-Backbone interact. energy: -0.016 local terms energy: -31.007189 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: -21393.398 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -21147.445853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21147.445853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.851411 (E_RNA) where: Base-Base interactions energy: -66.609 where: short stacking energy: -31.260 Base-Backbone interact. energy: -0.001 local terms energy: -38.241678 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -8.190 Dist. restrs. and SS energy: -21042.594 (S_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: 138 Temperature: 1.050000 Total energy: -20962.909423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20962.909423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.649078 (E_RNA) where: Base-Base interactions energy: -69.201 where: short stacking energy: -29.970 Base-Backbone interact. energy: -0.003 local terms energy: -35.445008 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: -20858.260 (S_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: 138 Temperature: 1.100000 Total energy: -21161.030323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21161.030323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.745215 (E_RNA) where: Base-Base interactions energy: -66.088 where: short stacking energy: -33.066 Base-Backbone interact. energy: -0.000 local terms energy: -34.656633 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: -21060.285 (S_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: -21013.813590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21013.813590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.585718 (E_RNA) where: Base-Base interactions energy: -66.410 where: short stacking energy: -32.133 Base-Backbone interact. energy: -0.044 local terms energy: -27.132020 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: -20920.228 (S_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: 138 Temperature: 1.200000 Total energy: -21311.111012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21311.111012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.267454 (E_RNA) where: Base-Base interactions energy: -55.438 where: short stacking energy: -20.696 Base-Backbone interact. energy: -0.013 local terms energy: -25.816392 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: -21229.844 (S_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: 138 Temperature: 1.250000 Total energy: -21065.454440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21065.454440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.624663 (E_RNA) where: Base-Base interactions energy: -58.788 where: short stacking energy: -26.521 Base-Backbone interact. energy: -0.001 local terms energy: -35.836044 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -8.679 Dist. restrs. and SS energy: -20970.830 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -21127.732020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21127.732020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.794875 (E_RNA) where: Base-Base interactions energy: -51.982 where: short stacking energy: -25.897 Base-Backbone interact. energy: -0.000 local terms energy: -28.812437 where: bonds (distance) C4'-P energy: -5.398 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -6.649 Dist. restrs. and SS energy: -21046.937 (S_DIST_RNA) chem. 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: -20995.534130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20995.534130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.153733 (E_RNA) where: Base-Base interactions energy: -49.662 where: short stacking energy: -20.282 Base-Backbone interact. energy: -0.011 local terms energy: -24.479974 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: -20921.380 (S_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: 139 Temperature: 0.900000 Total energy: -25189.629899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25189.629899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.670416 (E_RNA) where: Base-Base interactions energy: -80.277 where: short stacking energy: -27.228 Base-Backbone interact. energy: -0.009 local terms energy: -32.385018 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: -25076.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -21561.011560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21561.011560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.828832 (E_RNA) where: Base-Base interactions energy: -84.739 where: short stacking energy: -26.238 Base-Backbone interact. energy: -0.033 local terms energy: -28.056783 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: -21448.183 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -21281.518554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21281.518554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.160109 (E_RNA) where: Base-Base interactions energy: -62.937 where: short stacking energy: -30.753 Base-Backbone interact. energy: -0.000 local terms energy: -34.222928 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -7.930 Dist. restrs. and SS energy: -21184.358 (S_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: 139 Temperature: 1.050000 Total energy: -21269.901616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21269.901616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.221585 (E_RNA) where: Base-Base interactions energy: -65.944 where: short stacking energy: -27.694 Base-Backbone interact. energy: -0.009 local terms energy: -26.269291 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -5.499 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -0.236 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: -21177.680 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -21076.810052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21076.810052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.830313 (E_RNA) where: Base-Base interactions energy: -69.541 where: short stacking energy: -23.020 Base-Backbone interact. energy: -0.000 local terms energy: -30.289235 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: -20976.980 (S_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: 139 Temperature: 1.150000 Total energy: -21454.862317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21454.862317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.101940 (E_RNA) where: Base-Base interactions energy: -58.706 where: short stacking energy: -23.737 Base-Backbone interact. energy: -0.298 local terms energy: -26.097797 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: -21369.760 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -21154.125089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21154.125089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.052814 (E_RNA) where: Base-Base interactions energy: -62.361 where: short stacking energy: -25.227 Base-Backbone interact. energy: -1.057 local terms energy: -30.633928 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.661 Dist. restrs. and SS energy: -21060.072 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -21275.299046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21275.299046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.257616 (E_RNA) where: Base-Base interactions energy: -58.755 where: short stacking energy: -23.784 Base-Backbone interact. energy: -0.108 local terms energy: -21.394357 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: -21195.041 (S_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: 139 Temperature: 1.300000 Total energy: -21290.746086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21290.746086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.191160 (E_RNA) where: Base-Base interactions energy: -45.992 where: short stacking energy: -18.088 Base-Backbone interact. energy: -0.009 local terms energy: -36.190508 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: -21208.555 (S_DIST_RNA) chem. 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: -21158.819415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21158.819415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.867607 (E_RNA) where: Base-Base interactions energy: -49.910 where: short stacking energy: -15.203 Base-Backbone interact. energy: -0.172 local terms energy: -20.785520 where: bonds (distance) C4'-P energy: -2.971 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -1.321 Dist. restrs. and SS energy: -21087.952 (S_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: 140 Temperature: 0.900000 Total energy: -25261.866324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25261.866324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.987346 (E_RNA) where: Base-Base interactions energy: -79.815 where: short stacking energy: -26.044 Base-Backbone interact. energy: -0.075 local terms energy: -28.097187 where: bonds (distance) C4'-P energy: -4.906 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: -25153.879 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -21652.151455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21652.151455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.900492 (E_RNA) where: Base-Base interactions energy: -68.020 where: short stacking energy: -34.167 Base-Backbone interact. energy: -0.000 local terms energy: -32.880265 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -9.183 Dist. restrs. and SS energy: -21551.251 (S_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: -21384.682721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21384.682721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.711965 (E_RNA) where: Base-Base interactions energy: -65.722 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.616 local terms energy: -29.374136 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -4.196 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: -21288.971 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -21423.805939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21423.805939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.545813 (E_RNA) where: Base-Base interactions energy: -59.442 where: short stacking energy: -28.045 Base-Backbone interact. energy: -0.907 local terms energy: -33.196383 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: -21330.260 (S_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: 140 Temperature: 1.100000 Total energy: -21564.094984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21564.094984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.920674 (E_RNA) where: Base-Base interactions energy: -59.966 where: short stacking energy: -26.890 Base-Backbone interact. energy: -0.047 local terms energy: -29.908324 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: -21474.174 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -21189.361585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21189.361585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.140952 (E_RNA) where: Base-Base interactions energy: -62.390 where: short stacking energy: -29.504 Base-Backbone interact. energy: -0.052 local terms energy: -27.698790 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.138 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: -21099.221 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -21429.519844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21429.519844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.332647 (E_RNA) where: Base-Base interactions energy: -58.158 where: short stacking energy: -22.821 Base-Backbone interact. energy: -0.058 local terms energy: -24.116760 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.324 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: -21347.187 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -21307.968266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21307.968266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.311489 (E_RNA) where: Base-Base interactions energy: -53.590 where: short stacking energy: -15.287 Base-Backbone interact. energy: -0.063 local terms energy: -18.659325 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: 1.735 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: -21235.657 (S_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: 140 Temperature: 1.300000 Total energy: -21441.623652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21441.623652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.686772 (E_RNA) where: Base-Base interactions energy: -62.663 where: short stacking energy: -30.646 Base-Backbone interact. energy: -0.136 local terms energy: -30.888259 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -1.098 tors. eta vs tors. theta energy: -9.595 Dist. restrs. and SS energy: -21347.937 (S_DIST_RNA) chem. 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: -21319.108566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21319.108566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.142590 (E_RNA) where: Base-Base interactions energy: -65.202 where: short stacking energy: -32.307 Base-Backbone interact. energy: -0.449 local terms energy: -28.491322 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: -21224.966 (S_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: 141 Temperature: 0.900000 Total energy: -25356.094543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25356.094543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.855770 (E_RNA) where: Base-Base interactions energy: -74.649 where: short stacking energy: -25.746 Base-Backbone interact. energy: 1.056 local terms energy: -27.262711 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -0.787 tors. eta vs tors. theta energy: -5.202 Dist. restrs. and SS energy: -25255.239 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -21749.099473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21749.099473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.407522 (E_RNA) where: Base-Base interactions energy: -60.928 where: short stacking energy: -26.116 Base-Backbone interact. energy: -0.010 local terms energy: -32.469547 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: -21655.692 (S_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: -21501.580131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21501.580131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.790945 (E_RNA) where: Base-Base interactions energy: -63.105 where: short stacking energy: -31.800 Base-Backbone interact. energy: 0.200 local terms energy: -34.885861 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -7.124 Dist. restrs. and SS energy: -21403.789 (S_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: 141 Temperature: 1.050000 Total energy: -21707.050066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21707.050066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.656053 (E_RNA) where: Base-Base interactions energy: -64.071 where: short stacking energy: -34.417 Base-Backbone interact. energy: -1.963 local terms energy: -35.621679 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -6.305 Dist. restrs. and SS energy: -21605.394 (S_DIST_RNA) chem. 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: -21551.788402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21551.788402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.892948 (E_RNA) where: Base-Base interactions energy: -62.530 where: short stacking energy: -19.012 Base-Backbone interact. energy: -0.003 local terms energy: -20.359878 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: -21468.895 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -21658.869712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21658.869712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.734738 (E_RNA) where: Base-Base interactions energy: -62.352 where: short stacking energy: -21.909 Base-Backbone interact. energy: -0.003 local terms energy: -31.379883 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -1.509 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: -21565.135 (S_DIST_RNA) chem. 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: -21357.093534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21357.093534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.755756 (E_RNA) where: Base-Base interactions energy: -65.651 where: short stacking energy: -36.741 Base-Backbone interact. energy: -0.000 local terms energy: -34.104129 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: -21257.338 (S_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: 141 Temperature: 1.250000 Total energy: -21602.091175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21602.091175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.665895 (E_RNA) where: Base-Base interactions energy: -70.418 where: short stacking energy: -25.763 Base-Backbone interact. energy: -0.003 local terms energy: -25.244676 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -0.626 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: -21506.425 (S_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: 141 Temperature: 1.300000 Total energy: -21680.156047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21680.156047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.943707 (E_RNA) where: Base-Base interactions energy: -45.879 where: short stacking energy: -20.537 Base-Backbone interact. energy: -0.126 local terms energy: -24.938896 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -6.283 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: -21609.212 (S_DIST_RNA) chem. 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: -21485.416787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21485.416787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.893209 (E_RNA) where: Base-Base interactions energy: -53.950 where: short stacking energy: -22.759 Base-Backbone interact. energy: -0.099 local terms energy: -26.844507 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: -21404.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -25443.195942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25443.195942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.564501 (E_RNA) where: Base-Base interactions energy: -70.235 where: short stacking energy: -29.315 Base-Backbone interact. energy: -0.303 local terms energy: -34.026847 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: -25338.631 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -21839.723589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21839.723589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.540047 (E_RNA) where: Base-Base interactions energy: -65.169 where: short stacking energy: -25.416 Base-Backbone interact. energy: -0.001 local terms energy: -31.369485 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -8.361 Dist. restrs. and SS energy: -21743.184 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -21808.165228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21808.165228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.073739 (E_RNA) where: Base-Base interactions energy: -63.542 where: short stacking energy: -27.349 Base-Backbone interact. energy: -0.016 local terms energy: -31.516281 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -6.293 Dist. restrs. and SS energy: -21713.091 (S_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: 142 Temperature: 1.050000 Total energy: -21640.446696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21640.446696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.410874 (E_RNA) where: Base-Base interactions energy: -65.949 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.390 local terms energy: -32.072678 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -6.193 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: -21542.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -21761.935402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21761.935402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.676276 (E_RNA) where: Base-Base interactions energy: -66.945 where: short stacking energy: -26.692 Base-Backbone interact. energy: -0.241 local terms energy: -25.490859 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: -21669.259 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -21706.357434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21706.357434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.581986 (E_RNA) where: Base-Base interactions energy: -63.706 where: short stacking energy: -29.629 Base-Backbone interact. energy: -0.001 local terms energy: -32.875105 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -1.981 tors. eta vs tors. theta energy: -7.598 Dist. restrs. and SS energy: -21609.775 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -21738.403274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21738.403274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.922096 (E_RNA) where: Base-Base interactions energy: -54.732 where: short stacking energy: -31.325 Base-Backbone interact. energy: -0.000 local terms energy: -34.189482 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.019 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -8.604 Dist. restrs. and SS energy: -21649.481 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -21471.825518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21471.825518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.641878 (E_RNA) where: Base-Base interactions energy: -49.416 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.013 local terms energy: -31.212408 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: -21391.184 (S_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: 142 Temperature: 1.300000 Total energy: -22070.898936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22070.898936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.851198 (E_RNA) where: Base-Base interactions energy: -63.530 where: short stacking energy: -21.659 Base-Backbone interact. energy: -0.003 local terms energy: -23.318680 where: bonds (distance) C4'-P energy: -4.418 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: 0.517 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: -21984.048 (S_DIST_RNA) chem. 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: -21690.230039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21690.230039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.728740 (E_RNA) where: Base-Base interactions energy: -55.600 where: short stacking energy: -21.004 Base-Backbone interact. energy: -0.007 local terms energy: -18.121278 where: bonds (distance) C4'-P energy: -2.347 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: 1.749 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: -21616.501 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -25531.032768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25531.032768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.118978 (E_RNA) where: Base-Base interactions energy: -67.272 where: short stacking energy: -28.307 Base-Backbone interact. energy: -0.001 local terms energy: -35.845367 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -9.120 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: -25427.914 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -21891.681768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21891.681768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.852118 (E_RNA) where: Base-Base interactions energy: -68.304 where: short stacking energy: -28.035 Base-Backbone interact. energy: -0.001 local terms energy: -31.547057 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: -21791.830 (S_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: 143 Temperature: 1.000000 Total energy: -21981.149611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21981.149611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.375560 (E_RNA) where: Base-Base interactions energy: -64.361 where: short stacking energy: -31.462 Base-Backbone interact. energy: -0.002 local terms energy: -32.012616 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: -21884.774 (S_DIST_RNA) chem. 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: -21910.095029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21910.095029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.133203 (E_RNA) where: Base-Base interactions energy: -60.941 where: short stacking energy: -24.955 Base-Backbone interact. energy: -0.254 local terms energy: -25.938463 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -5.934 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: -21822.962 (S_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: 143 Temperature: 1.100000 Total energy: -21732.286710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21732.286710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.806784 (E_RNA) where: Base-Base interactions energy: -62.385 where: short stacking energy: -26.595 Base-Backbone interact. energy: -0.003 local terms energy: -28.419091 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -0.630 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: -21641.480 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -21884.571276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21884.571276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.233485 (E_RNA) where: Base-Base interactions energy: -59.598 where: short stacking energy: -20.958 Base-Backbone interact. energy: -0.464 local terms energy: -31.172067 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -5.563 Dist. restrs. and SS energy: -21793.338 (S_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: 143 Temperature: 1.200000 Total energy: -21867.886941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21867.886941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.363411 (E_RNA) where: Base-Base interactions energy: -61.245 where: short stacking energy: -18.938 Base-Backbone interact. energy: -0.003 local terms energy: -28.114898 where: bonds (distance) C4'-P energy: -7.089 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: -21778.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -22208.368193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22208.368193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.915469 (E_RNA) where: Base-Base interactions energy: -62.031 where: short stacking energy: -34.196 Base-Backbone interact. energy: -0.000 local terms energy: -31.883880 where: bonds (distance) C4'-P energy: -2.936 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: -22114.453 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -21732.503909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21732.503909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.936712 (E_RNA) where: Base-Base interactions energy: -53.417 where: short stacking energy: -20.894 Base-Backbone interact. energy: -0.002 local terms energy: -22.517899 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -0.477 tors. eta vs tors. theta energy: -6.171 Dist. restrs. and SS energy: -21656.567 (S_DIST_RNA) chem. 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: -21935.573397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21935.573397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.865976 (E_RNA) where: Base-Base interactions energy: -58.324 where: short stacking energy: -21.829 Base-Backbone interact. energy: -0.868 local terms energy: -25.673571 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: -21850.707 (S_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: 144 Temperature: 0.900000 Total energy: -25604.720543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25604.720543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.953373 (E_RNA) where: Base-Base interactions energy: -64.231 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.125 local terms energy: -34.596996 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: -25505.767 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -21990.222295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21990.222295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.133470 (E_RNA) where: Base-Base interactions energy: -67.915 where: short stacking energy: -29.794 Base-Backbone interact. energy: -0.127 local terms energy: -26.091082 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -2.078 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: -21896.089 (S_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: 144 Temperature: 1.000000 Total energy: -22106.951205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22106.951205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.940582 (E_RNA) where: Base-Base interactions energy: -66.858 where: short stacking energy: -35.205 Base-Backbone interact. energy: -0.000 local terms energy: -34.082682 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -9.237 Dist. restrs. and SS energy: -22006.011 (S_DIST_RNA) chem. 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: -22056.369690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22056.369690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.709613 (E_RNA) where: Base-Base interactions energy: -68.459 where: short stacking energy: -34.420 Base-Backbone interact. energy: -0.000 local terms energy: -34.250230 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -1.089 tors. eta vs tors. theta energy: -8.479 Dist. restrs. and SS energy: -21953.660 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -22020.088761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22020.088761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.620853 (E_RNA) where: Base-Base interactions energy: -55.669 where: short stacking energy: -28.861 Base-Backbone interact. energy: -0.008 local terms energy: -27.943342 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -1.325 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: -21936.468 (S_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: 144 Temperature: 1.150000 Total energy: -21873.382599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21873.382599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.965611 (E_RNA) where: Base-Base interactions energy: -67.677 where: short stacking energy: -35.282 Base-Backbone interact. energy: -0.000 local terms energy: -32.288664 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -8.175 Dist. restrs. and SS energy: -21773.417 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -22382.367177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22382.367177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.326464 (E_RNA) where: Base-Base interactions energy: -61.665 where: short stacking energy: -20.657 Base-Backbone interact. energy: -0.002 local terms energy: -27.659027 where: bonds (distance) C4'-P energy: -6.652 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -0.302 tors. eta vs tors. theta energy: -5.643 Dist. restrs. and SS energy: -22293.041 (S_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: 144 Temperature: 1.250000 Total energy: -22022.076646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22022.076646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.117806 (E_RNA) where: Base-Base interactions energy: -55.154 where: short stacking energy: -23.583 Base-Backbone interact. energy: -0.000 local terms energy: -28.963231 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -7.289 Dist. restrs. and SS energy: -21937.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -22144.809343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22144.809343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.665226 (E_RNA) where: Base-Base interactions energy: -50.431 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.014 local terms energy: -26.219637 where: bonds (distance) C4'-P energy: -6.378 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: -22068.144 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -21891.714138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21891.714138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.467366 (E_RNA) where: Base-Base interactions energy: -62.550 where: short stacking energy: -29.209 Base-Backbone interact. energy: -0.023 local terms energy: -24.894841 where: bonds (distance) C4'-P energy: -2.947 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -3.958 Dist. restrs. and SS energy: -21804.247 (S_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: 145 Temperature: 0.900000 Total energy: -25694.800355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25694.800355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.083595 (E_RNA) where: Base-Base interactions energy: -65.305 where: short stacking energy: -30.976 Base-Backbone interact. energy: -0.002 local terms energy: -34.776100 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -9.799 Dist. restrs. and SS energy: -25594.717 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -22193.595553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22193.595553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.866955 (E_RNA) where: Base-Base interactions energy: -69.235 where: short stacking energy: -28.329 Base-Backbone interact. energy: -0.001 local terms energy: -37.631115 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -7.428 Dist. restrs. and SS energy: -22086.729 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -22121.651245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22121.651245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.661377 (E_RNA) where: Base-Base interactions energy: -66.778 where: short stacking energy: -29.424 Base-Backbone interact. energy: -1.058 local terms energy: -29.825199 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: -22023.990 (S_DIST_RNA) chem. 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: -22158.588207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22158.588207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.080334 (E_RNA) where: Base-Base interactions energy: -56.677 where: short stacking energy: -24.487 Base-Backbone interact. energy: -1.376 local terms energy: -35.027677 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: -22065.508 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -22149.345491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22149.345491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.685647 (E_RNA) where: Base-Base interactions energy: -64.196 where: short stacking energy: -28.138 Base-Backbone interact. energy: -0.030 local terms energy: -31.460071 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -6.021 Dist. restrs. and SS energy: -22053.660 (S_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: -22526.752168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22526.752168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.937521 (E_RNA) where: Base-Base interactions energy: -64.274 where: short stacking energy: -23.926 Base-Backbone interact. energy: -0.001 local terms energy: -26.662450 where: bonds (distance) C4'-P energy: -5.381 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: -22435.815 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -22052.608430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22052.608430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.307331 (E_RNA) where: Base-Base interactions energy: -62.385 where: short stacking energy: -24.205 Base-Backbone interact. energy: -0.000 local terms energy: -32.922472 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: -21957.301 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -22309.259293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22309.259293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.006902 (E_RNA) where: Base-Base interactions energy: -67.327 where: short stacking energy: -35.206 Base-Backbone interact. energy: -0.125 local terms energy: -26.555175 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -0.221 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: -8.880 Dist. restrs. and SS energy: -22215.252 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -22223.125956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22223.125956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.720392 (E_RNA) where: Base-Base interactions energy: -51.099 where: short stacking energy: -24.885 Base-Backbone interact. energy: -0.001 local terms energy: -32.620654 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -7.255 Dist. restrs. and SS energy: -22139.406 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -22037.364267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22037.364267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.918485 (E_RNA) where: Base-Base interactions energy: -53.529 where: short stacking energy: -15.948 Base-Backbone interact. energy: -0.020 local terms energy: -22.370176 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: 1.856 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: -21961.446 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -25785.341917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25785.341917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.402070 (E_RNA) where: Base-Base interactions energy: -67.169 where: short stacking energy: -33.897 Base-Backbone interact. energy: -0.000 local terms energy: -37.232579 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -9.350 Dist. restrs. and SS energy: -25680.940 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -22285.378103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22285.378103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.882515 (E_RNA) where: Base-Base interactions energy: -63.184 where: short stacking energy: -30.292 Base-Backbone interact. energy: -1.454 local terms energy: -35.244583 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -8.453 Dist. restrs. and SS energy: -22185.496 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -22269.326948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22269.326948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.847553 (E_RNA) where: Base-Base interactions energy: -66.422 where: short stacking energy: -24.060 Base-Backbone interact. energy: -0.393 local terms energy: -32.032239 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: -22170.479 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -22239.397346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22239.397346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.268628 (E_RNA) where: Base-Base interactions energy: -62.621 where: short stacking energy: -27.242 Base-Backbone interact. energy: -0.874 local terms energy: -30.772902 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: -22145.129 (S_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: -22648.994290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22648.994290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.322128 (E_RNA) where: Base-Base interactions energy: -56.928 where: short stacking energy: -27.943 Base-Backbone interact. energy: -0.100 local terms energy: -30.294064 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: -22561.672 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -22301.368107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22301.368107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.468875 (E_RNA) where: Base-Base interactions energy: -59.504 where: short stacking energy: -24.106 Base-Backbone interact. energy: -0.002 local terms energy: -32.962044 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: -22208.899 (S_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: 146 Temperature: 1.200000 Total energy: -22585.962954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22585.962954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.675614 (E_RNA) where: Base-Base interactions energy: -55.848 where: short stacking energy: -25.052 Base-Backbone interact. energy: -0.258 local terms energy: -27.568820 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: -22502.287 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -22205.882332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22205.882332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.090133 (E_RNA) where: Base-Base interactions energy: -62.384 where: short stacking energy: -32.346 Base-Backbone interact. energy: 0.161 local terms energy: -31.867855 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -8.232 Dist. restrs. and SS energy: -22111.792 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -22406.934351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22406.934351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.313551 (E_RNA) where: Base-Base interactions energy: -61.319 where: short stacking energy: -23.328 Base-Backbone interact. energy: -0.000 local terms energy: -27.994181 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: -22317.621 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -22196.047251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22196.047251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.258278 (E_RNA) where: Base-Base interactions energy: -62.265 where: short stacking energy: -28.791 Base-Backbone interact. energy: -0.002 local terms energy: -32.991343 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -9.079 Dist. restrs. and SS energy: -22100.789 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -25917.851855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25917.851855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.344448 (E_RNA) where: Base-Base interactions energy: -66.989 where: short stacking energy: -31.300 Base-Backbone interact. energy: -0.008 local terms energy: -35.347636 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -9.629 Dist. restrs. and SS energy: -25815.507 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -22386.067588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22386.067588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.869356 (E_RNA) where: Base-Base interactions energy: -68.931 where: short stacking energy: -28.433 Base-Backbone interact. energy: -0.003 local terms energy: -33.935432 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: -22283.198 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -22346.903983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22346.903983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.142865 (E_RNA) where: Base-Base interactions energy: -61.284 where: short stacking energy: -28.769 Base-Backbone interact. energy: -0.018 local terms energy: -27.840381 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -7.515 Dist. restrs. and SS energy: -22257.761 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -22760.931793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22760.931793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.648621 (E_RNA) where: Base-Base interactions energy: -69.912 where: short stacking energy: -30.972 Base-Backbone interact. energy: -0.001 local terms energy: -30.736245 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: -22660.283 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -22398.415494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22398.415494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.496911 (E_RNA) where: Base-Base interactions energy: -68.197 where: short stacking energy: -33.058 Base-Backbone interact. energy: -0.000 local terms energy: -30.299761 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -0.965 tors. eta vs tors. theta energy: -7.472 Dist. restrs. and SS energy: -22299.919 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -22812.548777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22812.548777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.348888 (E_RNA) where: Base-Base interactions energy: -63.994 where: short stacking energy: -23.971 Base-Backbone interact. energy: -0.001 local terms energy: -28.353367 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: -22720.200 (S_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: 147 Temperature: 1.200000 Total energy: -22455.533410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22455.533410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.735145 (E_RNA) where: Base-Base interactions energy: -72.186 where: short stacking energy: -30.966 Base-Backbone interact. energy: -0.000 local terms energy: -23.548592 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: 0.792 tors. eta vs tors. theta energy: -6.239 Dist. restrs. and SS energy: -22359.798 (S_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: 147 Temperature: 1.250000 Total energy: -22544.906784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22544.906784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.641296 (E_RNA) where: Base-Base interactions energy: -60.226 where: short stacking energy: -19.233 Base-Backbone interact. energy: -0.207 local terms energy: -26.207582 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: -22458.265 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -22386.872664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22386.872664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.786406 (E_RNA) where: Base-Base interactions energy: -58.912 where: short stacking energy: -33.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.874079 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -4.000 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -1.470 tors. eta vs tors. theta energy: -8.153 Dist. restrs. and SS energy: -22301.086 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -22391.283098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22391.283098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.141656 (E_RNA) where: Base-Base interactions energy: -61.600 where: short stacking energy: -15.154 Base-Backbone interact. energy: -0.019 local terms energy: -20.522562 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: 1.859 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: -22309.141 (S_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: 148 Temperature: 0.900000 Total energy: -26016.534896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26016.534896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.031614 (E_RNA) where: Base-Base interactions energy: -71.294 where: short stacking energy: -31.708 Base-Backbone interact. energy: -0.394 local terms energy: -29.343721 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -9.152 Dist. restrs. and SS energy: -25915.503 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -22482.789177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22482.789177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.806080 (E_RNA) where: Base-Base interactions energy: -66.008 where: short stacking energy: -31.717 Base-Backbone interact. energy: -1.054 local terms energy: -37.743231 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -8.706 Dist. restrs. and SS energy: -22377.983 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -22856.428474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22856.428474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.848974 (E_RNA) where: Base-Base interactions energy: -59.037 where: short stacking energy: -28.153 Base-Backbone interact. energy: -0.232 local terms energy: -30.579676 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -0.170 tors. eta vs tors. theta energy: -8.515 Dist. restrs. and SS energy: -22766.579 (S_DIST_RNA) chem. 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: -22503.897953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22503.897953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.527131 (E_RNA) where: Base-Base interactions energy: -62.311 where: short stacking energy: -24.200 Base-Backbone interact. energy: -0.005 local terms energy: -28.211644 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: -22413.371 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -22921.146314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22921.146314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.956189 (E_RNA) where: Base-Base interactions energy: -65.822 where: short stacking energy: -34.696 Base-Backbone interact. energy: -0.001 local terms energy: -32.133534 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -7.841 Dist. restrs. and SS energy: -22823.190 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -22522.558567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22522.558567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.109753 (E_RNA) where: Base-Base interactions energy: -60.080 where: short stacking energy: -25.121 Base-Backbone interact. energy: -0.005 local terms energy: -26.025307 where: bonds (distance) C4'-P energy: -3.605 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.177 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: -22436.449 (S_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: 148 Temperature: 1.200000 Total energy: -22677.587440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22677.587440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.811779 (E_RNA) where: Base-Base interactions energy: -66.244 where: short stacking energy: -34.383 Base-Backbone interact. energy: -0.000 local terms energy: -21.567135 where: bonds (distance) C4'-P energy: -3.083 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: 0.361 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: -22589.776 (S_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: 148 Temperature: 1.250000 Total energy: -22600.655935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22600.655935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.447989 (E_RNA) where: Base-Base interactions energy: -65.788 where: short stacking energy: -26.396 Base-Backbone interact. energy: -0.015 local terms energy: -28.644466 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: -22506.208 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -22560.596067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22560.596067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.851405 (E_RNA) where: Base-Base interactions energy: -61.870 where: short stacking energy: -27.072 Base-Backbone interact. energy: -0.001 local terms energy: -27.980943 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: -22470.745 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -22570.024428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22570.024428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.182768 (E_RNA) where: Base-Base interactions energy: -53.809 where: short stacking energy: -23.420 Base-Backbone interact. energy: 0.656 local terms energy: -22.029544 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -3.465 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: -22494.842 (S_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: 149 Temperature: 0.900000 Total energy: -26127.619626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26127.619626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.502033 (E_RNA) where: Base-Base interactions energy: -67.437 where: short stacking energy: -26.896 Base-Backbone interact. energy: -0.872 local terms energy: -35.192747 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: -26024.118 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -22959.183780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22959.183780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.872335 (E_RNA) where: Base-Base interactions energy: -65.987 where: short stacking energy: -28.890 Base-Backbone interact. energy: -0.004 local terms energy: -28.880426 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -5.096 Dist. restrs. and SS energy: -22864.311 (S_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: 149 Temperature: 1.000000 Total energy: -22589.116883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22589.116883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.308768 (E_RNA) where: Base-Base interactions energy: -69.995 where: short stacking energy: -32.535 Base-Backbone interact. energy: -0.000 local terms energy: -37.313249 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.799 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -9.101 Dist. restrs. and SS energy: -22481.808 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -23024.153449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23024.153449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.657809 (E_RNA) where: Base-Base interactions energy: -60.834 where: short stacking energy: -28.258 Base-Backbone interact. energy: -0.854 local terms energy: -31.970400 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: -22930.496 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -22629.066229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22629.066229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.575884 (E_RNA) where: Base-Base interactions energy: -63.754 where: short stacking energy: -29.596 Base-Backbone interact. energy: -0.000 local terms energy: -35.821852 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -9.660 Dist. restrs. and SS energy: -22529.490 (S_DIST_RNA) chem. 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: -22819.276608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22819.276608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.320579 (E_RNA) where: Base-Base interactions energy: -67.156 where: short stacking energy: -27.368 Base-Backbone interact. energy: -0.003 local terms energy: -33.161909 where: bonds (distance) C4'-P energy: -6.649 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: -22718.956 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -22688.367438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22688.367438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.182130 (E_RNA) where: Base-Base interactions energy: -63.945 where: short stacking energy: -34.046 Base-Backbone interact. energy: -0.643 local terms energy: -32.594454 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -8.949 Dist. restrs. and SS energy: -22591.185 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -22742.302901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22742.302901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.048217 (E_RNA) where: Base-Base interactions energy: -56.567 where: short stacking energy: -24.246 Base-Backbone interact. energy: -0.160 local terms energy: -30.321310 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: -22655.255 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -22683.767961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22683.767961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.386933 (E_RNA) where: Base-Base interactions energy: -59.090 where: short stacking energy: -19.261 Base-Backbone interact. energy: -0.006 local terms energy: -20.290645 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -1.800 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: -22604.381 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -22747.026118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22747.026118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.469072 (E_RNA) where: Base-Base interactions energy: -58.480 where: short stacking energy: -23.134 Base-Backbone interact. energy: -0.004 local terms energy: -28.984623 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: -22659.557 (S_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: 150 Temperature: 0.900000 Total energy: -26230.218563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26230.218563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.252983 (E_RNA) where: Base-Base interactions energy: -70.747 where: short stacking energy: -38.479 Base-Backbone interact. energy: -0.000 local terms energy: -34.505598 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -7.979 Dist. restrs. and SS energy: -26124.966 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -23099.925860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23099.925860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.924418 (E_RNA) where: Base-Base interactions energy: -68.435 where: short stacking energy: -29.752 Base-Backbone interact. energy: -0.406 local terms energy: -35.083223 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: -22996.001 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -23155.165427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23155.165427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.699317 (E_RNA) where: Base-Base interactions energy: -66.803 where: short stacking energy: -33.020 Base-Backbone interact. energy: -0.006 local terms energy: -35.890192 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: -23052.466 (S_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: 150 Temperature: 1.050000 Total energy: -22685.185070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22685.185070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.144461 (E_RNA) where: Base-Base interactions energy: -63.405 where: short stacking energy: -30.196 Base-Backbone interact. energy: -1.018 local terms energy: -36.721067 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: -22584.041 (S_DIST_RNA) chem. 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: -22934.865791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22934.865791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.456010 (E_RNA) where: Base-Base interactions energy: -65.152 where: short stacking energy: -32.370 Base-Backbone interact. energy: -1.756 local terms energy: -31.548064 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -8.309 Dist. restrs. and SS energy: -22836.410 (S_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: 150 Temperature: 1.150000 Total energy: -22770.261514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22770.261514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.714768 (E_RNA) where: Base-Base interactions energy: -64.350 where: short stacking energy: -23.922 Base-Backbone interact. energy: -0.246 local terms energy: -34.118460 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -8.642 Dist. restrs. and SS energy: -22671.547 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -22891.813452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22891.813452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.742857 (E_RNA) where: Base-Base interactions energy: -61.202 where: short stacking energy: -28.085 Base-Backbone interact. energy: -2.746 local terms energy: -29.794732 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -6.067 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: -22798.071 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -22867.589610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22867.589610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.761423 (E_RNA) where: Base-Base interactions energy: -63.032 where: short stacking energy: -22.481 Base-Backbone interact. energy: -0.016 local terms energy: -24.713768 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -0.921 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: -22779.828 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -22902.825193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22902.825193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.957636 (E_RNA) where: Base-Base interactions energy: -63.689 where: short stacking energy: -34.467 Base-Backbone interact. energy: -0.634 local terms energy: -32.634598 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -2.266 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: -22805.868 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -22862.470369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22862.470369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.984633 (E_RNA) where: Base-Base interactions energy: -54.591 where: short stacking energy: -24.700 Base-Backbone interact. energy: -0.098 local terms energy: -20.295021 where: bonds (distance) C4'-P energy: -1.494 bonds (distance) P-C4' energy: -6.089 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -0.993 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: -22787.486 (S_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: 151 Temperature: 0.900000 Total energy: -26340.545354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26340.545354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.159661 (E_RNA) where: Base-Base interactions energy: -60.569 where: short stacking energy: -25.766 Base-Backbone interact. energy: -0.000 local terms energy: -39.590939 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: -26240.386 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -23239.313868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23239.313868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.708639 (E_RNA) where: Base-Base interactions energy: -65.456 where: short stacking energy: -26.284 Base-Backbone interact. energy: -0.002 local terms energy: -33.250967 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -7.346 Dist. restrs. and SS energy: -23140.605 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -23190.898988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23190.898988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.996022 (E_RNA) where: Base-Base interactions energy: -63.249 where: short stacking energy: -29.180 Base-Backbone interact. energy: -0.001 local terms energy: -35.746117 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -9.326 Dist. restrs. and SS energy: -23091.903 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -23070.745118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23070.745118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.524739 (E_RNA) where: Base-Base interactions energy: -66.435 where: short stacking energy: -34.880 Base-Backbone interact. energy: -0.004 local terms energy: -35.085371 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -9.831 Dist. restrs. and SS energy: -22969.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -22791.878791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22791.878791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.007980 (E_RNA) where: Base-Base interactions energy: -60.006 where: short stacking energy: -28.358 Base-Backbone interact. energy: -0.000 local terms energy: -35.002124 where: bonds (distance) C4'-P energy: -9.252 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: -22696.871 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -23038.044228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23038.044228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.964529 (E_RNA) where: Base-Base interactions energy: -61.938 where: short stacking energy: -30.000 Base-Backbone interact. energy: -0.001 local terms energy: -30.026095 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: 0.118 tors. eta vs tors. theta energy: -8.988 Dist. restrs. and SS energy: -22946.080 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -22890.001927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22890.001927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.164701 (E_RNA) where: Base-Base interactions energy: -60.151 where: short stacking energy: -28.014 Base-Backbone interact. energy: -1.068 local terms energy: -26.945184 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -2.126 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: -22801.837 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -23044.652587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23044.652587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.279947 (E_RNA) where: Base-Base interactions energy: -63.876 where: short stacking energy: -32.550 Base-Backbone interact. energy: -0.142 local terms energy: -25.261514 where: bonds (distance) C4'-P energy: 1.614 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: -22955.373 (S_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: 151 Temperature: 1.300000 Total energy: -23056.024220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23056.024220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.108534 (E_RNA) where: Base-Base interactions energy: -61.319 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.000 local terms energy: -29.789016 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: -22964.916 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -23074.673089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23074.673089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.162138 (E_RNA) where: Base-Base interactions energy: -55.681 where: short stacking energy: -27.984 Base-Backbone interact. energy: -0.445 local terms energy: -23.035473 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -5.386 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -0.694 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: -22995.511 (S_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: 152 Temperature: 0.900000 Total energy: -26448.074960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26448.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.471988 (E_RNA) where: Base-Base interactions energy: -65.925 where: short stacking energy: -24.716 Base-Backbone interact. energy: -0.001 local terms energy: -32.545450 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: -26349.603 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -23339.879647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23339.879647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.856947 (E_RNA) where: Base-Base interactions energy: -66.491 where: short stacking energy: -27.165 Base-Backbone interact. energy: -0.006 local terms energy: -33.359314 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: -23240.023 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -23275.168438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23275.168438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.361768 (E_RNA) where: Base-Base interactions energy: -62.704 where: short stacking energy: -34.042 Base-Backbone interact. energy: -0.550 local terms energy: -41.107801 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -9.603 Dist. restrs. and SS energy: -23170.807 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -23173.786049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23173.786049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.321867 (E_RNA) where: Base-Base interactions energy: -61.067 where: short stacking energy: -34.337 Base-Backbone interact. energy: -0.000 local terms energy: -34.254542 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: -23078.464 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -23172.395461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23172.395461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.305745 (E_RNA) where: Base-Base interactions energy: -63.254 where: short stacking energy: -34.472 Base-Backbone interact. energy: -0.402 local terms energy: -33.649657 where: bonds (distance) C4'-P energy: -5.398 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: -23075.090 (S_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: 152 Temperature: 1.150000 Total energy: -22919.837697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22919.837697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.447600 (E_RNA) where: Base-Base interactions energy: -77.255 where: short stacking energy: -24.920 Base-Backbone interact. energy: 1.608 local terms energy: -33.801216 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -5.801 Dist. restrs. and SS energy: -22810.390 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -23194.102177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23194.102177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.717406 (E_RNA) where: Base-Base interactions energy: -64.513 where: short stacking energy: -32.750 Base-Backbone interact. energy: -0.001 local terms energy: -29.203133 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -1.454 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: -23100.385 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -23042.453786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23042.453786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.279165 (E_RNA) where: Base-Base interactions energy: -69.208 where: short stacking energy: -35.146 Base-Backbone interact. energy: -0.001 local terms energy: -27.070272 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: 0.865 tors. eta vs tors. theta energy: -7.616 Dist. restrs. and SS energy: -22946.175 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -23256.661446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23256.661446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.987826 (E_RNA) where: Base-Base interactions energy: -60.073 where: short stacking energy: -30.732 Base-Backbone interact. energy: -0.001 local terms energy: -31.913231 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -9.056 Dist. restrs. and SS energy: -23164.674 (S_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: 152 Temperature: 1.350000 Total energy: -23230.023149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23230.023149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.376277 (E_RNA) where: Base-Base interactions energy: -58.904 where: short stacking energy: -25.749 Base-Backbone interact. energy: -0.011 local terms energy: -32.460827 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: -23138.647 (S_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: 153 Temperature: 0.900000 Total energy: -26559.057738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26559.057738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.631588 (E_RNA) where: Base-Base interactions energy: -61.049 where: short stacking energy: -28.730 Base-Backbone interact. energy: -0.028 local terms energy: -35.554114 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: -26462.426 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -23421.633532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23421.633532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.645098 (E_RNA) where: Base-Base interactions energy: -64.788 where: short stacking energy: -27.428 Base-Backbone interact. energy: -0.399 local terms energy: -34.457573 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: -23321.988 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -23398.653696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23398.653696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.043767 (E_RNA) where: Base-Base interactions energy: -66.994 where: short stacking energy: -33.084 Base-Backbone interact. energy: -0.002 local terms energy: -34.047714 where: bonds (distance) C4'-P energy: -6.027 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -8.098 Dist. restrs. and SS energy: -23297.610 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -23292.151406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23292.151406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.898018 (E_RNA) where: Base-Base interactions energy: -62.349 where: short stacking energy: -26.210 Base-Backbone interact. energy: -0.000 local terms energy: -31.548555 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -7.082 Dist. restrs. and SS energy: -23198.253 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -23300.035684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23300.035684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.205163 (E_RNA) where: Base-Base interactions energy: -64.051 where: short stacking energy: -27.192 Base-Backbone interact. energy: -0.223 local terms energy: -30.931161 where: bonds (distance) C4'-P energy: -5.746 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -6.699 Dist. restrs. and SS energy: -23204.831 (S_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: 153 Temperature: 1.150000 Total energy: -23331.664081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23331.664081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.051994 (E_RNA) where: Base-Base interactions energy: -62.734 where: short stacking energy: -34.379 Base-Backbone interact. energy: -0.006 local terms energy: -30.312263 where: bonds (distance) C4'-P energy: -4.153 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -1.191 tors. eta vs tors. theta energy: -8.068 Dist. restrs. and SS energy: -23238.612 (S_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: 153 Temperature: 1.200000 Total energy: -23120.756724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23120.756724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.762303 (E_RNA) where: Base-Base interactions energy: -54.566 where: short stacking energy: -21.503 Base-Backbone interact. energy: -0.090 local terms energy: -25.106174 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -2.005 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: -23040.994 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -23419.743231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23419.743231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.087765 (E_RNA) where: Base-Base interactions energy: -58.366 where: short stacking energy: -20.539 Base-Backbone interact. energy: -0.019 local terms energy: -26.702020 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: -23334.655 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -23204.976845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23204.976845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.683129 (E_RNA) where: Base-Base interactions energy: -59.598 where: short stacking energy: -28.686 Base-Backbone interact. energy: -0.016 local terms energy: -29.069028 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: -23116.294 (S_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: 153 Temperature: 1.350000 Total energy: -23409.958108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23409.958108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.747104 (E_RNA) where: Base-Base interactions energy: -57.319 where: short stacking energy: -24.749 Base-Backbone interact. energy: -1.452 local terms energy: -23.975813 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -5.397 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: -23327.211 (S_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: 154 Temperature: 0.900000 Total energy: -26662.077360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26662.077360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.042568 (E_RNA) where: Base-Base interactions energy: -64.299 where: short stacking energy: -21.853 Base-Backbone interact. energy: -0.011 local terms energy: -30.732664 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: -26567.035 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -23536.828050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23536.828050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.491078 (E_RNA) where: Base-Base interactions energy: -69.282 where: short stacking energy: -37.109 Base-Backbone interact. energy: -0.000 local terms energy: -38.208928 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: -23429.337 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -23523.765302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23523.765302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.825909 (E_RNA) where: Base-Base interactions energy: -74.108 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.543 local terms energy: -29.174866 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -1.543 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: -23419.939 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -23413.912987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23413.912987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.072394 (E_RNA) where: Base-Base interactions energy: -61.934 where: short stacking energy: -33.392 Base-Backbone interact. energy: -0.399 local terms energy: -30.739376 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: -23320.841 (S_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: 154 Temperature: 1.100000 Total energy: -23459.652848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23459.652848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.311986 (E_RNA) where: Base-Base interactions energy: -67.285 where: short stacking energy: -35.360 Base-Backbone interact. energy: -0.000 local terms energy: -27.026167 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -2.184 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -6.903 Dist. restrs. and SS energy: -23365.341 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -23432.368408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23432.368408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.500925 (E_RNA) where: Base-Base interactions energy: -67.806 where: short stacking energy: -34.087 Base-Backbone interact. energy: 0.350 local terms energy: -27.044087 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: -23337.867 (S_DIST_RNA) chem. 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: -23576.544131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23576.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.705117 (E_RNA) where: Base-Base interactions energy: -61.502 where: short stacking energy: -25.573 Base-Backbone interact. energy: 0.894 local terms energy: -28.096863 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: -23487.839 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -23271.441962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23271.441962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.947082 (E_RNA) where: Base-Base interactions energy: -57.507 where: short stacking energy: -27.594 Base-Backbone interact. energy: -0.074 local terms energy: -31.366392 where: bonds (distance) C4'-P energy: -4.947 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: -23182.495 (S_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: 154 Temperature: 1.300000 Total energy: -23630.816975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23630.816975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.093282 (E_RNA) where: Base-Base interactions energy: -61.353 where: short stacking energy: -29.174 Base-Backbone interact. energy: 0.080 local terms energy: -24.820241 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -3.394 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: -23544.724 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -23397.642076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23397.642076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.187201 (E_RNA) where: Base-Base interactions energy: -64.789 where: short stacking energy: -29.258 Base-Backbone interact. energy: -0.001 local terms energy: -27.397549 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -0.950 tors. eta vs tors. theta energy: -6.488 Dist. restrs. and SS energy: -23305.455 (S_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: 155 Temperature: 0.900000 Total energy: -26757.822630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26757.822630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.261811 (E_RNA) where: Base-Base interactions energy: -69.480 where: short stacking energy: -33.928 Base-Backbone interact. energy: -0.016 local terms energy: -37.765738 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: -26650.561 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -23625.807152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23625.807152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.170680 (E_RNA) where: Base-Base interactions energy: -69.647 where: short stacking energy: -35.786 Base-Backbone interact. energy: -0.000 local terms energy: -40.524003 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -8.798 Dist. restrs. and SS energy: -23515.636 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -23639.532390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23639.532390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.771743 (E_RNA) where: Base-Base interactions energy: -68.197 where: short stacking energy: -23.899 Base-Backbone interact. energy: -0.007 local terms energy: -32.567594 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -6.396 Dist. restrs. and SS energy: -23538.761 (S_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: 155 Temperature: 1.050000 Total energy: -23584.907352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23584.907352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.510077 (E_RNA) where: Base-Base interactions energy: -66.804 where: short stacking energy: -33.492 Base-Backbone interact. energy: -0.000 local terms energy: -33.706151 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -6.147 Dist. restrs. and SS energy: -23484.397 (S_DIST_RNA) chem. 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: -23530.628983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23530.628983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.931071 (E_RNA) where: Base-Base interactions energy: -61.139 where: short stacking energy: -23.086 Base-Backbone interact. energy: -0.063 local terms energy: -34.728902 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: -23434.698 (S_DIST_RNA) chem. 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: -23688.175001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23688.175001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.494301 (E_RNA) where: Base-Base interactions energy: -63.185 where: short stacking energy: -31.102 Base-Backbone interact. energy: -0.349 local terms energy: -27.960846 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -5.933 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: -23596.681 (S_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: 155 Temperature: 1.200000 Total energy: -23551.504985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23551.504985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.248809 (E_RNA) where: Base-Base interactions energy: -53.407 where: short stacking energy: -26.125 Base-Backbone interact. energy: -0.003 local terms energy: -25.838170 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -2.159 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: -23472.256 (S_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: 155 Temperature: 1.250000 Total energy: -23768.300744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23768.300744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.119088 (E_RNA) where: Base-Base interactions energy: -63.151 where: short stacking energy: -24.158 Base-Backbone interact. energy: -0.213 local terms energy: -28.755359 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: -23676.182 (S_DIST_RNA) chem. 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: -23438.118776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23438.118776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.881597 (E_RNA) where: Base-Base interactions energy: -64.178 where: short stacking energy: -28.705 Base-Backbone interact. energy: -1.188 local terms energy: -33.515466 where: bonds (distance) C4'-P energy: -5.898 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -6.107 Dist. restrs. and SS energy: -23339.237 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -23594.926261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23594.926261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.374427 (E_RNA) where: Base-Base interactions energy: -55.134 where: short stacking energy: -16.084 Base-Backbone interact. energy: -0.009 local terms energy: -28.231288 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: -23511.552 (S_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: 156 Temperature: 0.900000 Total energy: -26849.067002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26849.067002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.986297 (E_RNA) where: Base-Base interactions energy: -63.280 where: short stacking energy: -28.964 Base-Backbone interact. energy: -0.004 local terms energy: -35.702310 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: -26750.081 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -23725.065488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23725.065488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.311483 (E_RNA) where: Base-Base interactions energy: -68.436 where: short stacking energy: -34.151 Base-Backbone interact. energy: -0.953 local terms energy: -38.922474 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -9.193 Dist. restrs. and SS energy: -23616.754 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -23735.977814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23735.977814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.191033 (E_RNA) where: Base-Base interactions energy: -68.800 where: short stacking energy: -31.050 Base-Backbone interact. energy: -0.001 local terms energy: -35.390443 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -8.459 Dist. restrs. and SS energy: -23631.787 (S_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: 156 Temperature: 1.050000 Total energy: -23703.673005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23703.673005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.460414 (E_RNA) where: Base-Base interactions energy: -61.027 where: short stacking energy: -28.187 Base-Backbone interact. energy: -0.001 local terms energy: -33.432515 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -7.450 Dist. restrs. and SS energy: -23609.213 (S_DIST_RNA) chem. 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: -23832.582964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23832.582964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.684482 (E_RNA) where: Base-Base interactions energy: -64.741 where: short stacking energy: -24.218 Base-Backbone interact. energy: -0.009 local terms energy: -24.934494 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: -23742.898 (S_DIST_RNA) chem. 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: -23679.460666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23679.460666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.643645 (E_RNA) where: Base-Base interactions energy: -54.776 where: short stacking energy: -25.868 Base-Backbone interact. energy: -0.002 local terms energy: -29.865532 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -8.455 Dist. restrs. and SS energy: -23594.817 (S_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: 156 Temperature: 1.200000 Total energy: -23894.433943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23894.433943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.089371 (E_RNA) where: Base-Base interactions energy: -60.953 where: short stacking energy: -22.905 Base-Backbone interact. energy: -0.006 local terms energy: -26.130009 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: -23807.345 (S_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: 156 Temperature: 1.250000 Total energy: -23696.562429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23696.562429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.260747 (E_RNA) where: Base-Base interactions energy: -64.003 where: short stacking energy: -26.473 Base-Backbone interact. energy: -0.644 local terms energy: -23.613854 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: -23608.302 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -23739.279616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23739.279616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.570113 (E_RNA) where: Base-Base interactions energy: -64.294 where: short stacking energy: -28.350 Base-Backbone interact. energy: -0.000 local terms energy: -35.275739 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -8.060 Dist. restrs. and SS energy: -23639.710 (S_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: 156 Temperature: 1.350000 Total energy: -23589.822150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23589.822150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.570509 (E_RNA) where: Base-Base interactions energy: -64.135 where: short stacking energy: -30.903 Base-Backbone interact. energy: -0.057 local terms energy: -25.378930 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: -23500.252 (S_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: 157 Temperature: 0.900000 Total energy: -26932.431215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26932.431215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.333254 (E_RNA) where: Base-Base interactions energy: -74.895 where: short stacking energy: -26.193 Base-Backbone interact. energy: -0.052 local terms energy: -31.385432 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: -26826.098 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -23846.104718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23846.104718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.310474 (E_RNA) where: Base-Base interactions energy: -60.196 where: short stacking energy: -31.610 Base-Backbone interact. energy: -1.184 local terms energy: -34.930591 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -7.165 Dist. restrs. and SS energy: -23749.794 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -23829.517343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23829.517343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.447825 (E_RNA) where: Base-Base interactions energy: -71.185 where: short stacking energy: -18.101 Base-Backbone interact. energy: -0.010 local terms energy: -27.253385 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: -23731.070 (S_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: 157 Temperature: 1.050000 Total energy: -23971.531722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23971.531722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.515520 (E_RNA) where: Base-Base interactions energy: -67.442 where: short stacking energy: -27.875 Base-Backbone interact. energy: -0.210 local terms energy: -31.863302 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: -23872.016 (S_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: 157 Temperature: 1.100000 Total energy: -23819.008408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23819.008408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.038413 (E_RNA) where: Base-Base interactions energy: -60.391 where: short stacking energy: -25.657 Base-Backbone interact. energy: -0.001 local terms energy: -34.646232 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: -23723.970 (S_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: 157 Temperature: 1.150000 Total energy: -24032.851110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24032.851110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.545005 (E_RNA) where: Base-Base interactions energy: -61.979 where: short stacking energy: -28.552 Base-Backbone interact. energy: -0.001 local terms energy: -32.564506 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -7.355 Dist. restrs. and SS energy: -23938.306 (S_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: 157 Temperature: 1.200000 Total energy: -23850.681586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23850.681586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.248346 (E_RNA) where: Base-Base interactions energy: -63.071 where: short stacking energy: -26.754 Base-Backbone interact. energy: 0.300 local terms energy: -29.477892 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -4.136 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: -23758.433 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -23877.547639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23877.547639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.527526 (E_RNA) where: Base-Base interactions energy: -65.189 where: short stacking energy: -32.434 Base-Backbone interact. energy: -0.850 local terms energy: -26.487980 where: bonds (distance) C4'-P energy: -2.140 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: -23785.020 (S_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: 157 Temperature: 1.300000 Total energy: -23837.833054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23837.833054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.561756 (E_RNA) where: Base-Base interactions energy: -58.411 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.741 local terms energy: -32.409190 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -7.892 Dist. restrs. and SS energy: -23746.271 (S_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: 157 Temperature: 1.350000 Total energy: -23756.037732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23756.037732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.793373 (E_RNA) where: Base-Base interactions energy: -60.797 where: short stacking energy: -21.421 Base-Backbone interact. energy: -0.090 local terms energy: -22.906710 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -1.582 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: -23672.244 (S_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: 158 Temperature: 0.900000 Total energy: -27007.369303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27007.369303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.227544 (E_RNA) where: Base-Base interactions energy: -66.377 where: short stacking energy: -32.932 Base-Backbone interact. energy: -0.000 local terms energy: -34.849818 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: -26906.142 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -23961.578498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23961.578498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.525477 (E_RNA) where: Base-Base interactions energy: -63.109 where: short stacking energy: -27.190 Base-Backbone interact. energy: -1.054 local terms energy: -37.362164 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -9.188 Dist. restrs. and SS energy: -23860.053 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -24083.226981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24083.226981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.179667 (E_RNA) where: Base-Base interactions energy: -66.353 where: short stacking energy: -34.532 Base-Backbone interact. energy: -0.000 local terms energy: -29.826431 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -7.189 Dist. restrs. and SS energy: -23987.047 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -23939.432567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23939.432567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.701358 (E_RNA) where: Base-Base interactions energy: -72.770 where: short stacking energy: -27.880 Base-Backbone interact. energy: -0.009 local terms energy: -27.922027 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: -23838.731 (S_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: 158 Temperature: 1.100000 Total energy: -24180.124472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24180.124472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.129524 (E_RNA) where: Base-Base interactions energy: -68.719 where: short stacking energy: -22.179 Base-Backbone interact. energy: -0.006 local terms energy: -23.404198 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: 1.151 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: -24087.995 (S_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: 158 Temperature: 1.150000 Total energy: -23976.780797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23976.780797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.133275 (E_RNA) where: Base-Base interactions energy: -69.053 where: short stacking energy: -27.273 Base-Backbone interact. energy: -0.085 local terms energy: -26.994752 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -0.332 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: -23880.648 (S_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: 158 Temperature: 1.200000 Total energy: -24011.791727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24011.791727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.407368 (E_RNA) where: Base-Base interactions energy: -59.986 where: short stacking energy: -30.001 Base-Backbone interact. energy: -0.001 local terms energy: -33.420816 where: bonds (distance) C4'-P energy: -3.038 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -9.068 Dist. restrs. and SS energy: -23918.384 (S_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: 158 Temperature: 1.250000 Total energy: -24014.878516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24014.878516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.070282 (E_RNA) where: Base-Base interactions energy: -58.125 where: short stacking energy: -23.363 Base-Backbone interact. energy: -0.057 local terms energy: -19.888861 where: bonds (distance) C4'-P energy: -2.732 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -3.015 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: -23936.808 (S_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: 158 Temperature: 1.300000 Total energy: -23987.180848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23987.180848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.102890 (E_RNA) where: Base-Base interactions energy: -54.795 where: short stacking energy: -25.346 Base-Backbone interact. energy: -0.000 local terms energy: -26.307033 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: -23906.078 (S_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: 158 Temperature: 1.350000 Total energy: -23934.707956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23934.707956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.881005 (E_RNA) where: Base-Base interactions energy: -60.721 where: short stacking energy: -28.537 Base-Backbone interact. energy: -1.129 local terms energy: -32.030994 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: -23840.827 (S_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: 159 Temperature: 0.900000 Total energy: -27116.170348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27116.170348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.860049 (E_RNA) where: Base-Base interactions energy: -67.686 where: short stacking energy: -34.825 Base-Backbone interact. energy: -1.055 local terms energy: -31.119164 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -8.323 Dist. restrs. and SS energy: -27016.310 (S_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: 159 Temperature: 0.950000 Total energy: -24177.478086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24177.478086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.386714 (E_RNA) where: Base-Base interactions energy: -64.818 where: short stacking energy: -28.744 Base-Backbone interact. energy: 0.373 local terms energy: -30.942166 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: -24082.091 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -24068.006652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24068.006652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.631924 (E_RNA) where: Base-Base interactions energy: -64.135 where: short stacking energy: -32.011 Base-Backbone interact. energy: -0.000 local terms energy: -33.496888 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -9.005 Dist. restrs. and SS energy: -23970.375 (S_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: 159 Temperature: 1.050000 Total energy: -24279.371708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24279.371708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.882991 (E_RNA) where: Base-Base interactions energy: -60.252 where: short stacking energy: -21.198 Base-Backbone interact. energy: -0.235 local terms energy: -33.395804 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -7.508 Dist. restrs. and SS energy: -24185.489 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -24096.898390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24096.898390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.917278 (E_RNA) where: Base-Base interactions energy: -53.900 where: short stacking energy: -17.715 Base-Backbone interact. energy: -0.096 local terms energy: -24.922079 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -2.515 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: -24017.981 (S_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: 159 Temperature: 1.150000 Total energy: -24165.192532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24165.192532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.023169 (E_RNA) where: Base-Base interactions energy: -69.028 where: short stacking energy: -27.325 Base-Backbone interact. energy: -0.002 local terms energy: -21.993343 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -5.322 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -1.102 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: -24074.169 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -24138.680365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24138.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.066437 (E_RNA) where: Base-Base interactions energy: -65.412 where: short stacking energy: -31.814 Base-Backbone interact. energy: -0.239 local terms energy: -28.415382 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -7.296 Dist. restrs. and SS energy: -24044.614 (S_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: 159 Temperature: 1.250000 Total energy: -24292.124719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24292.124719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.934147 (E_RNA) where: Base-Base interactions energy: -61.163 where: short stacking energy: -24.291 Base-Backbone interact. energy: -0.002 local terms energy: -25.769037 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: -24205.191 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -24147.463621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24147.463621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.027094 (E_RNA) where: Base-Base interactions energy: -58.333 where: short stacking energy: -18.713 Base-Backbone interact. energy: -0.398 local terms energy: -25.296136 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -2.953 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: -24063.437 (S_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: 159 Temperature: 1.350000 Total energy: -24122.888455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24122.888455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.016502 (E_RNA) where: Base-Base interactions energy: -65.326 where: short stacking energy: -21.941 Base-Backbone interact. energy: -0.040 local terms energy: -24.649813 where: bonds (distance) C4'-P energy: -3.954 bonds (distance) P-C4' energy: -7.272 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: -24032.872 (S_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: 160 Temperature: 0.900000 Total energy: -27216.150333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27216.150333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.690457 (E_RNA) where: Base-Base interactions energy: -69.366 where: short stacking energy: -35.641 Base-Backbone interact. energy: -0.000 local terms energy: -36.323645 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -9.126 Dist. restrs. and SS energy: -27110.460 (S_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: 160 Temperature: 0.950000 Total energy: -24278.240584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24278.240584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.849916 (E_RNA) where: Base-Base interactions energy: -72.387 where: short stacking energy: -31.095 Base-Backbone interact. energy: -0.007 local terms energy: -27.455319 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: -24178.391 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -24396.940759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24396.940759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.776308 (E_RNA) where: Base-Base interactions energy: -72.493 where: short stacking energy: -26.955 Base-Backbone interact. energy: -0.878 local terms energy: -31.405404 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: -24292.164 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -24185.756859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24185.756859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.027468 (E_RNA) where: Base-Base interactions energy: -70.922 where: short stacking energy: -36.276 Base-Backbone interact. energy: -0.000 local terms energy: -33.105705 where: bonds (distance) C4'-P energy: -4.627 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: -24081.729 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -24325.337789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24325.337789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.055452 (E_RNA) where: Base-Base interactions energy: -69.158 where: short stacking energy: -32.725 Base-Backbone interact. energy: -0.000 local terms energy: -36.897506 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -7.273 Dist. restrs. and SS energy: -24219.282 (S_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: 160 Temperature: 1.150000 Total energy: -24238.843520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24238.843520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.140415 (E_RNA) where: Base-Base interactions energy: -61.508 where: short stacking energy: -26.682 Base-Backbone interact. energy: -0.001 local terms energy: -39.631739 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -8.119 Dist. restrs. and SS energy: -24137.703 (S_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: 160 Temperature: 1.200000 Total energy: -24472.789305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24472.789305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.516426 (E_RNA) where: Base-Base interactions energy: -58.122 where: short stacking energy: -30.418 Base-Backbone interact. energy: -1.476 local terms energy: -34.918249 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: -24378.273 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -24270.774002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24270.774002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.676090 (E_RNA) where: Base-Base interactions energy: -55.532 where: short stacking energy: -17.307 Base-Backbone interact. energy: -0.002 local terms energy: -27.142176 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: -24188.098 (S_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: 160 Temperature: 1.300000 Total energy: -24354.064157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24354.064157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.736451 (E_RNA) where: Base-Base interactions energy: -58.096 where: short stacking energy: -31.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.639626 where: bonds (distance) C4'-P energy: -4.294 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: -24264.328 (S_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: 160 Temperature: 1.350000 Total energy: -24359.333931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24359.333931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.063389 (E_RNA) where: Base-Base interactions energy: -61.037 where: short stacking energy: -30.730 Base-Backbone interact. energy: -0.015 local terms energy: -30.011408 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -3.747 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: -24268.271 (S_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: 161 Temperature: 0.900000 Total energy: -27331.128290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27331.128290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.621648 (E_RNA) where: Base-Base interactions energy: -66.632 where: short stacking energy: -32.381 Base-Backbone interact. energy: -0.008 local terms energy: -34.982038 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -9.305 Dist. restrs. and SS energy: -27229.507 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -24484.304162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24484.304162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.849434 (E_RNA) where: Base-Base interactions energy: -61.975 where: short stacking energy: -22.352 Base-Backbone interact. energy: -0.715 local terms energy: -34.159494 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.521 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: -24387.455 (S_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: 161 Temperature: 1.000000 Total energy: -24403.498777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24403.498777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.187322 (E_RNA) where: Base-Base interactions energy: -67.809 where: short stacking energy: -34.274 Base-Backbone interact. energy: -0.000 local terms energy: -35.377891 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: -24300.311 (S_DIST_RNA) chem. 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: -24412.129100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24412.129100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.970686 (E_RNA) where: Base-Base interactions energy: -67.072 where: short stacking energy: -24.561 Base-Backbone interact. energy: -0.006 local terms energy: -25.892753 where: bonds (distance) C4'-P energy: -2.860 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: -24319.158 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -24299.327777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24299.327777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.940478 (E_RNA) where: Base-Base interactions energy: -63.678 where: short stacking energy: -31.833 Base-Backbone interact. energy: -0.359 local terms energy: -33.903469 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -9.162 Dist. restrs. and SS energy: -24201.387 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -24603.996565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24603.996565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.776426 (E_RNA) where: Base-Base interactions energy: -68.594 where: short stacking energy: -25.621 Base-Backbone interact. energy: -0.006 local terms energy: -23.176717 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: -24512.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -24361.920069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24361.920069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.807492 (E_RNA) where: Base-Base interactions energy: -61.771 where: short stacking energy: -30.261 Base-Backbone interact. energy: -0.050 local terms energy: -26.986481 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -1.363 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: -24273.113 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -24528.118551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24528.118551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.769389 (E_RNA) where: Base-Base interactions energy: -63.105 where: short stacking energy: -25.432 Base-Backbone interact. energy: -0.005 local terms energy: -28.659867 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: -24436.349 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -24422.039976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24422.039976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.551671 (E_RNA) where: Base-Base interactions energy: -63.197 where: short stacking energy: -28.703 Base-Backbone interact. energy: -0.029 local terms energy: -28.325552 where: bonds (distance) C4'-P energy: -1.961 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -6.118 Dist. restrs. and SS energy: -24330.488 (S_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: 161 Temperature: 1.350000 Total energy: -24544.654675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24544.654675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.040512 (E_RNA) where: Base-Base interactions energy: -59.736 where: short stacking energy: -30.092 Base-Backbone interact. energy: -0.378 local terms energy: -34.925986 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: -24449.614 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -27422.802475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27422.802475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.728646 (E_RNA) where: Base-Base interactions energy: -63.174 where: short stacking energy: -32.825 Base-Backbone interact. energy: -0.267 local terms energy: -36.286968 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: -27323.074 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -24568.851029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24568.851029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.672363 (E_RNA) where: Base-Base interactions energy: -70.730 where: short stacking energy: -30.199 Base-Backbone interact. energy: -0.000 local terms energy: -26.941935 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -4.694 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -7.876 Dist. restrs. and SS energy: -24471.179 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -24557.721879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24557.721879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.617690 (E_RNA) where: Base-Base interactions energy: -64.741 where: short stacking energy: -31.392 Base-Backbone interact. energy: -0.002 local terms energy: -27.874487 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: -24465.104 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -24528.014703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24528.014703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.633903 (E_RNA) where: Base-Base interactions energy: -55.104 where: short stacking energy: -27.980 Base-Backbone interact. energy: -0.001 local terms energy: -34.528772 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: -24438.381 (S_DIST_RNA) chem. 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: -24726.596447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24726.596447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.365162 (E_RNA) where: Base-Base interactions energy: -68.047 where: short stacking energy: -28.407 Base-Backbone interact. energy: -0.001 local terms energy: -32.317714 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.940 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: -24626.231 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -24420.403932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24420.403932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.129613 (E_RNA) where: Base-Base interactions energy: -60.807 where: short stacking energy: -22.006 Base-Backbone interact. energy: -0.002 local terms energy: -30.320485 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -1.362 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: -24329.274 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -24652.249078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24652.249078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.653871 (E_RNA) where: Base-Base interactions energy: -58.449 where: short stacking energy: -25.213 Base-Backbone interact. energy: -0.010 local terms energy: -26.194089 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: -24567.595 (S_DIST_RNA) chem. 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: -24589.176525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24589.176525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.437853 (E_RNA) where: Base-Base interactions energy: -58.558 where: short stacking energy: -24.209 Base-Backbone interact. energy: -0.325 local terms energy: -26.554451 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: -24503.739 (S_DIST_RNA) chem. 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: -24698.312947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24698.312947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.609984 (E_RNA) where: Base-Base interactions energy: -60.359 where: short stacking energy: -26.583 Base-Backbone interact. energy: -0.704 local terms energy: -30.547006 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: -24606.703 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -24602.189798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24602.189798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.980204 (E_RNA) where: Base-Base interactions energy: -48.629 where: short stacking energy: -17.980 Base-Backbone interact. energy: -0.613 local terms energy: -24.737932 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: -24528.210 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -27527.296590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27527.296590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.289565 (E_RNA) where: Base-Base interactions energy: -68.469 where: short stacking energy: -35.151 Base-Backbone interact. energy: -0.000 local terms energy: -36.820051 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -8.297 Dist. restrs. and SS energy: -27422.007 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -24693.792371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24693.792371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.124488 (E_RNA) where: Base-Base interactions energy: -68.781 where: short stacking energy: -34.847 Base-Backbone interact. energy: -0.000 local terms energy: -38.343654 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -8.889 Dist. restrs. and SS energy: -24586.668 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -24705.460948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24705.460948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.950182 (E_RNA) where: Base-Base interactions energy: -65.414 where: short stacking energy: -34.488 Base-Backbone interact. energy: -0.000 local terms energy: -39.535900 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.131 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: -24600.511 (S_DIST_RNA) chem. 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: -24819.545582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24819.545582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.469744 (E_RNA) where: Base-Base interactions energy: -60.397 where: short stacking energy: -24.710 Base-Backbone interact. energy: -0.071 local terms energy: -32.002412 where: bonds (distance) C4'-P energy: -4.963 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -8.252 Dist. restrs. and SS energy: -24727.076 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -24665.011506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24665.011506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.409591 (E_RNA) where: Base-Base interactions energy: -68.441 where: short stacking energy: -35.121 Base-Backbone interact. energy: -0.827 local terms energy: -34.141088 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -8.080 Dist. restrs. and SS energy: -24561.602 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -24838.660015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24838.660015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.636604 (E_RNA) where: Base-Base interactions energy: -60.747 where: short stacking energy: -33.721 Base-Backbone interact. energy: -1.479 local terms energy: -33.410748 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -4.576 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -9.011 Dist. restrs. and SS energy: -24743.023 (S_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: 163 Temperature: 1.200000 Total energy: -24561.274031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24561.274031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.499220 (E_RNA) where: Base-Base interactions energy: -64.020 where: short stacking energy: -31.534 Base-Backbone interact. energy: -0.000 local terms energy: -34.479411 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -8.377 Dist. restrs. and SS energy: -24462.775 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -24840.745217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24840.745217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.395758 (E_RNA) where: Base-Base interactions energy: -53.904 where: short stacking energy: -22.214 Base-Backbone interact. energy: -0.001 local terms energy: -27.490586 where: bonds (distance) C4'-P energy: -2.998 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: -24759.349 (S_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: 163 Temperature: 1.300000 Total energy: -24750.654377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24750.654377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.192202 (E_RNA) where: Base-Base interactions energy: -59.000 where: short stacking energy: -26.891 Base-Backbone interact. energy: -0.077 local terms energy: -28.115614 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: -24663.462 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -24871.328477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24871.328477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.424435 (E_RNA) where: Base-Base interactions energy: -66.002 where: short stacking energy: -26.574 Base-Backbone interact. energy: -0.013 local terms energy: -25.408677 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: -24779.904 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -27625.275739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27625.275739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.874002 (E_RNA) where: Base-Base interactions energy: -65.522 where: short stacking energy: -24.128 Base-Backbone interact. energy: -0.160 local terms energy: -29.191445 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -5.422 Dist. restrs. and SS energy: -27530.402 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -24819.119453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24819.119453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.927567 (E_RNA) where: Base-Base interactions energy: -72.073 where: short stacking energy: -37.795 Base-Backbone interact. energy: -0.000 local terms energy: -33.854236 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -9.549 Dist. restrs. and SS energy: -24713.192 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -24922.517720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24922.517720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.391934 (E_RNA) where: Base-Base interactions energy: -63.946 where: short stacking energy: -26.314 Base-Backbone interact. energy: -0.357 local terms energy: -33.089001 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: -24825.126 (S_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: 164 Temperature: 1.050000 Total energy: -24853.308590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24853.308590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.724232 (E_RNA) where: Base-Base interactions energy: -59.889 where: short stacking energy: -28.717 Base-Backbone interact. energy: -0.005 local terms energy: -33.830100 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -9.031 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -7.536 Dist. restrs. and SS energy: -24759.584 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -24926.157364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24926.157364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.892823 (E_RNA) where: Base-Base interactions energy: -76.723 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.575 local terms energy: -28.595190 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -0.734 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: -24820.265 (S_DIST_RNA) chem. 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: -24806.007087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24806.007087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.273834 (E_RNA) where: Base-Base interactions energy: -60.539 where: short stacking energy: -23.712 Base-Backbone interact. energy: -0.014 local terms energy: -23.720947 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: -24721.733 (S_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: 164 Temperature: 1.200000 Total energy: -24991.073875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24991.073875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.708169 (E_RNA) where: Base-Base interactions energy: -59.488 where: short stacking energy: -21.005 Base-Backbone interact. energy: -0.856 local terms energy: -31.364054 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.319 Dist. restrs. and SS energy: -24899.366 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -24715.791411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24715.791411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.380155 (E_RNA) where: Base-Base interactions energy: -60.168 where: short stacking energy: -26.312 Base-Backbone interact. energy: -0.209 local terms energy: -32.002830 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -8.417 Dist. restrs. and SS energy: -24623.411 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -25032.806159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25032.806159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.531801 (E_RNA) where: Base-Base interactions energy: -44.231 where: short stacking energy: -9.015 Base-Backbone interact. energy: -0.020 local terms energy: -19.281128 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -0.534 Dist. restrs. and SS energy: -24969.274 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -24917.132807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24917.132807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.887589 (E_RNA) where: Base-Base interactions energy: -57.423 where: short stacking energy: -27.072 Base-Backbone interact. energy: -0.004 local terms energy: -35.460687 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: -24824.245 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -27734.392140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27734.392140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.277488 (E_RNA) where: Base-Base interactions energy: -72.611 where: short stacking energy: -28.810 Base-Backbone interact. energy: -0.001 local terms energy: -28.665713 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -1.572 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: -27633.115 (S_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: 165 Temperature: 0.950000 Total energy: -25033.931461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25033.931461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.715290 (E_RNA) where: Base-Base interactions energy: -70.384 where: short stacking energy: -37.111 Base-Backbone interact. energy: -1.416 local terms energy: -32.914999 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: -24929.216 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -24921.258703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24921.258703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.804001 (E_RNA) where: Base-Base interactions energy: -63.824 where: short stacking energy: -31.213 Base-Backbone interact. energy: -0.002 local terms energy: -34.978050 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: -24822.455 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -25046.291345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25046.291345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.149660 (E_RNA) where: Base-Base interactions energy: -63.098 where: short stacking energy: -23.148 Base-Backbone interact. energy: -0.716 local terms energy: -32.335756 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: -24950.142 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -24987.704721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24987.704721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.527056 (E_RNA) where: Base-Base interactions energy: -65.368 where: short stacking energy: -33.702 Base-Backbone interact. energy: 0.507 local terms energy: -30.665862 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -0.514 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: -24892.178 (S_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: 165 Temperature: 1.150000 Total energy: -25115.386780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25115.386780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.485611 (E_RNA) where: Base-Base interactions energy: -62.021 where: short stacking energy: -22.783 Base-Backbone interact. energy: 0.070 local terms energy: -33.534538 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: -25019.901 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -25090.354817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25090.354817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.880838 (E_RNA) where: Base-Base interactions energy: -54.930 where: short stacking energy: -16.986 Base-Backbone interact. energy: -0.028 local terms energy: -23.922912 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: 0.946 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: -25011.474 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -25199.675824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25199.675824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.775200 (E_RNA) where: Base-Base interactions energy: -62.320 where: short stacking energy: -31.388 Base-Backbone interact. energy: -0.575 local terms energy: -30.880360 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -1.386 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: -25105.901 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -24861.725946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24861.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.451710 (E_RNA) where: Base-Base interactions energy: -59.774 where: short stacking energy: -23.257 Base-Backbone interact. energy: -0.552 local terms energy: -28.125615 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: -24773.274 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -25067.531245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25067.531245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.541376 (E_RNA) where: Base-Base interactions energy: -52.872 where: short stacking energy: -18.809 Base-Backbone interact. energy: -0.001 local terms energy: -26.668664 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: -24987.990 (S_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: 166 Temperature: 0.900000 Total energy: -27857.286099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27857.286099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.226443 (E_RNA) where: Base-Base interactions energy: -64.726 where: short stacking energy: -32.739 Base-Backbone interact. energy: -1.294 local terms energy: -36.206589 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -9.788 Dist. restrs. and SS energy: -27755.060 (S_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: 166 Temperature: 0.950000 Total energy: -25135.392006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25135.392006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.943307 (E_RNA) where: Base-Base interactions energy: -68.111 where: short stacking energy: -29.773 Base-Backbone interact. energy: -0.384 local terms energy: -31.448238 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -1.419 tors. eta vs tors. theta energy: -8.611 Dist. restrs. and SS energy: -25035.449 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -25146.559203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25146.559203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.875283 (E_RNA) where: Base-Base interactions energy: -62.209 where: short stacking energy: -34.855 Base-Backbone interact. energy: -0.000 local terms energy: -33.665873 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: -25050.684 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -25028.702075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25028.702075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.440441 (E_RNA) where: Base-Base interactions energy: -72.342 where: short stacking energy: -27.213 Base-Backbone interact. energy: -0.007 local terms energy: -32.091697 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: -24924.262 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -25209.791099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25209.791099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.712107 (E_RNA) where: Base-Base interactions energy: -59.671 where: short stacking energy: -28.764 Base-Backbone interact. energy: -0.143 local terms energy: -29.898323 where: bonds (distance) C4'-P energy: -5.985 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: -25120.079 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -25119.093683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25119.093683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.298645 (E_RNA) where: Base-Base interactions energy: -64.817 where: short stacking energy: -29.379 Base-Backbone interact. energy: -0.001 local terms energy: -32.480956 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: -25021.795 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -25331.079282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25331.079282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.859205 (E_RNA) where: Base-Base interactions energy: -65.201 where: short stacking energy: -28.662 Base-Backbone interact. energy: -0.816 local terms energy: -23.842636 where: bonds (distance) C4'-P energy: -2.351 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: -25241.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -25349.565467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25349.565467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.905082 (E_RNA) where: Base-Base interactions energy: -56.479 where: short stacking energy: -20.305 Base-Backbone interact. energy: -0.002 local terms energy: -20.424242 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -1.072 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: -25272.660 (S_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: 166 Temperature: 1.300000 Total energy: -25253.700373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25253.700373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.939861 (E_RNA) where: Base-Base interactions energy: -49.714 where: short stacking energy: -23.113 Base-Backbone interact. energy: -0.017 local terms energy: -24.208778 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -0.457 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: -25179.761 (S_DIST_RNA) chem. 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: -25001.359569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25001.359569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.663308 (E_RNA) where: Base-Base interactions energy: -62.093 where: short stacking energy: -28.818 Base-Backbone interact. energy: -0.001 local terms energy: -36.569147 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -9.468 Dist. restrs. and SS energy: -24902.696 (S_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: 167 Temperature: 0.900000 Total energy: -27975.216601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27975.216601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.528323 (E_RNA) where: Base-Base interactions energy: -71.297 where: short stacking energy: -37.526 Base-Backbone interact. energy: -0.140 local terms energy: -31.091298 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: -27872.688 (S_DIST_RNA) chem. 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: -25271.829466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25271.829466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.295044 (E_RNA) where: Base-Base interactions energy: -61.441 where: short stacking energy: -35.087 Base-Backbone interact. energy: -0.002 local terms energy: -34.852204 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -6.990 Dist. restrs. and SS energy: -25175.534 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -25245.020951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25245.020951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.364000 (E_RNA) where: Base-Base interactions energy: -69.693 where: short stacking energy: -23.913 Base-Backbone interact. energy: -0.018 local terms energy: -31.653308 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: -25143.657 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -25336.676115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25336.676115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.359609 (E_RNA) where: Base-Base interactions energy: -61.924 where: short stacking energy: -22.141 Base-Backbone interact. energy: 0.737 local terms energy: -22.172594 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -3.720 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: -25253.317 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -25124.932716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25124.932716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.567113 (E_RNA) where: Base-Base interactions energy: -61.408 where: short stacking energy: -29.561 Base-Backbone interact. energy: -0.000 local terms energy: -35.159174 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -7.989 Dist. restrs. and SS energy: -25028.366 (S_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: 167 Temperature: 1.150000 Total energy: -25469.875044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25469.875044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.407832 (E_RNA) where: Base-Base interactions energy: -54.408 where: short stacking energy: -26.485 Base-Backbone interact. energy: -0.001 local terms energy: -30.998809 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: -25384.467 (S_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: 167 Temperature: 1.200000 Total energy: -25253.236581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25253.236581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.437121 (E_RNA) where: Base-Base interactions energy: -63.540 where: short stacking energy: -35.460 Base-Backbone interact. energy: -0.400 local terms energy: -31.497114 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: -25157.799 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -25610.794642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25610.794642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.442043 (E_RNA) where: Base-Base interactions energy: -58.629 where: short stacking energy: -20.651 Base-Backbone interact. energy: -0.101 local terms energy: -21.711918 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -1.518 flat angles P-C4'-P energy: -1.766 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: -25530.353 (S_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: 167 Temperature: 1.300000 Total energy: -25433.222798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25433.222798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.095108 (E_RNA) where: Base-Base interactions energy: -50.870 where: short stacking energy: -23.412 Base-Backbone interact. energy: -1.001 local terms energy: -27.224803 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: -25354.128 (S_DIST_RNA) chem. 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: -25154.020538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25154.020538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.622308 (E_RNA) where: Base-Base interactions energy: -63.237 where: short stacking energy: -24.701 Base-Backbone interact. energy: -0.179 local terms energy: -31.206508 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -1.692 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: -25059.398 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -28075.219515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28075.219515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.982879 (E_RNA) where: Base-Base interactions energy: -68.311 where: short stacking energy: -28.211 Base-Backbone interact. energy: -0.000 local terms energy: -34.671905 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -5.563 Dist. restrs. and SS energy: -27972.237 (S_DIST_RNA) chem. 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: -25394.551449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25394.551449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.247416 (E_RNA) where: Base-Base interactions energy: -70.025 where: short stacking energy: -36.362 Base-Backbone interact. energy: -0.000 local terms energy: -34.221818 where: bonds (distance) C4'-P energy: -3.352 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -9.614 Dist. restrs. and SS energy: -25290.304 (S_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: 168 Temperature: 1.000000 Total energy: -25453.916222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25453.916222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.141338 (E_RNA) where: Base-Base interactions energy: -65.206 where: short stacking energy: -26.113 Base-Backbone interact. energy: -0.400 local terms energy: -26.535686 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: -25361.775 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -25341.160941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25341.160941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.241640 (E_RNA) where: Base-Base interactions energy: -63.067 where: short stacking energy: -26.485 Base-Backbone interact. energy: -0.870 local terms energy: -25.305232 where: bonds (distance) C4'-P energy: -4.426 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: -25251.919 (S_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: 168 Temperature: 1.100000 Total energy: -25602.247523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25602.247523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.395812 (E_RNA) where: Base-Base interactions energy: -67.689 where: short stacking energy: -29.346 Base-Backbone interact. energy: -0.231 local terms energy: -32.476334 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -7.517 Dist. restrs. and SS energy: -25501.852 (S_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: 168 Temperature: 1.150000 Total energy: -25285.264111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25285.264111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.492927 (E_RNA) where: Base-Base interactions energy: -66.939 where: short stacking energy: -31.799 Base-Backbone interact. energy: -0.000 local terms energy: -35.553322 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: -25182.771 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -25870.688130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25870.688130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.386891 (E_RNA) where: Base-Base interactions energy: -54.399 where: short stacking energy: -27.377 Base-Backbone interact. energy: -0.000 local terms energy: -33.988319 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.489 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -6.700 Dist. restrs. and SS energy: -25782.301 (S_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: 168 Temperature: 1.250000 Total energy: -25422.710436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25422.710436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.638641 (E_RNA) where: Base-Base interactions energy: -62.450 where: short stacking energy: -30.058 Base-Backbone interact. energy: -0.001 local terms energy: -33.188044 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: -25327.072 (S_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: 168 Temperature: 1.300000 Total energy: -25616.653206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25616.653206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.306679 (E_RNA) where: Base-Base interactions energy: -58.376 where: short stacking energy: -27.365 Base-Backbone interact. energy: 0.254 local terms energy: -34.184946 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -8.965 Dist. restrs. and SS energy: -25524.347 (S_DIST_RNA) chem. 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: -25334.847850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25334.847850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.229899 (E_RNA) where: Base-Base interactions energy: -63.649 where: short stacking energy: -28.117 Base-Backbone interact. energy: -0.000 local terms energy: -37.580515 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -8.260 Dist. restrs. and SS energy: -25233.618 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -28166.880658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28166.880658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.652751 (E_RNA) where: Base-Base interactions energy: -65.791 where: short stacking energy: -28.192 Base-Backbone interact. energy: -0.142 local terms energy: -31.719531 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.715 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: -28069.228 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -25551.692173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25551.692173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.096311 (E_RNA) where: Base-Base interactions energy: -68.090 where: short stacking energy: -30.488 Base-Backbone interact. energy: -0.477 local terms energy: -33.529478 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: -25449.596 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -25523.250314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25523.250314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.414940 (E_RNA) where: Base-Base interactions energy: -66.342 where: short stacking energy: -31.979 Base-Backbone interact. energy: -0.983 local terms energy: -31.089807 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: -25424.835 (S_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: 169 Temperature: 1.050000 Total energy: -25699.104025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25699.104025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.399377 (E_RNA) where: Base-Base interactions energy: -63.348 where: short stacking energy: -25.004 Base-Backbone interact. energy: 1.083 local terms energy: -28.133582 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: -25608.705 (S_DIST_RNA) chem. 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: -25458.435669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25458.435669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.767382 (E_RNA) where: Base-Base interactions energy: -70.560 where: short stacking energy: -23.304 Base-Backbone interact. energy: -0.001 local terms energy: -30.206502 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -1.958 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: -25357.668 (S_DIST_RNA) chem. 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: -26006.809403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26006.809403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.698365 (E_RNA) where: Base-Base interactions energy: -58.246 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.000 local terms energy: -31.452402 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: -25917.111 (S_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: 169 Temperature: 1.200000 Total energy: -25407.956423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25407.956423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.451854 (E_RNA) where: Base-Base interactions energy: -58.364 where: short stacking energy: -21.874 Base-Backbone interact. energy: -0.008 local terms energy: -27.080066 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: -25322.505 (S_DIST_RNA) chem. 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: -25800.345791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25800.345791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.935286 (E_RNA) where: Base-Base interactions energy: -61.356 where: short stacking energy: -21.949 Base-Backbone interact. energy: -1.492 local terms energy: -22.087214 where: bonds (distance) C4'-P energy: 1.603 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: -25715.411 (S_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: 169 Temperature: 1.300000 Total energy: -25588.313446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25588.313446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.857291 (E_RNA) where: Base-Base interactions energy: -55.655 where: short stacking energy: -21.804 Base-Backbone interact. energy: -0.969 local terms energy: -29.233120 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: -25502.456 (S_DIST_RNA) chem. 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: -25491.939280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25491.939280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.921038 (E_RNA) where: Base-Base interactions energy: -63.575 where: short stacking energy: -22.336 Base-Backbone interact. energy: -0.002 local terms energy: -24.343755 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: -25404.018 (S_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: 170 Temperature: 0.900000 Total energy: -28250.498937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28250.498937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.367330 (E_RNA) where: Base-Base interactions energy: -60.860 where: short stacking energy: -26.509 Base-Backbone interact. energy: -0.477 local terms energy: -35.029720 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: -28154.132 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -25656.654133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25656.654133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.854474 (E_RNA) where: Base-Base interactions energy: -66.550 where: short stacking energy: -29.452 Base-Backbone interact. energy: -0.044 local terms energy: -37.261235 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: -25552.800 (S_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: -25831.494339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25831.494339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.350086 (E_RNA) where: Base-Base interactions energy: -74.069 where: short stacking energy: -38.381 Base-Backbone interact. energy: -0.486 local terms energy: -34.794861 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -8.598 Dist. restrs. and SS energy: -25722.144 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -25618.525178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25618.525178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.540317 (E_RNA) where: Base-Base interactions energy: -72.207 where: short stacking energy: -27.661 Base-Backbone interact. energy: -0.001 local terms energy: -29.332479 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: -25516.985 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -26147.769273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26147.769273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.556189 (E_RNA) where: Base-Base interactions energy: -59.617 where: short stacking energy: -28.563 Base-Backbone interact. energy: -0.613 local terms energy: -36.326116 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: -26051.213 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -25600.668284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25600.668284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.848043 (E_RNA) where: Base-Base interactions energy: -59.201 where: short stacking energy: -29.240 Base-Backbone interact. energy: -0.877 local terms energy: -31.769932 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -6.581 Dist. restrs. and SS energy: -25508.820 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -25937.504762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25937.504762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.696128 (E_RNA) where: Base-Base interactions energy: -57.965 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.030 local terms energy: -29.701222 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: -25849.809 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -25563.063286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25563.063286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.880386 (E_RNA) where: Base-Base interactions energy: -62.271 where: short stacking energy: -28.148 Base-Backbone interact. energy: -0.000 local terms energy: -27.608741 where: bonds (distance) C4'-P energy: -2.223 bonds (distance) P-C4' energy: -5.474 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -7.027 Dist. restrs. and SS energy: -25473.183 (S_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: 170 Temperature: 1.300000 Total energy: -25840.078943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25840.078943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.021223 (E_RNA) where: Base-Base interactions energy: -56.150 where: short stacking energy: -24.378 Base-Backbone interact. energy: -0.013 local terms energy: -21.857758 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: 0.452 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: -25762.058 (S_DIST_RNA) chem. 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: -25718.291744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25718.291744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.820596 (E_RNA) where: Base-Base interactions energy: -45.225 where: short stacking energy: -13.138 Base-Backbone interact. energy: 1.615 local terms energy: -25.210896 where: bonds (distance) C4'-P energy: -4.855 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -1.241 Dist. restrs. and SS energy: -25649.471 (S_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: 171 Temperature: 0.900000 Total energy: -28375.214329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28375.214329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.719499 (E_RNA) where: Base-Base interactions energy: -68.426 where: short stacking energy: -27.963 Base-Backbone interact. energy: -0.874 local terms energy: -31.418679 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -1.603 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: -28274.495 (S_DIST_RNA) chem. 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: -25936.944916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25936.944916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.454643 (E_RNA) where: Base-Base interactions energy: -65.469 where: short stacking energy: -34.152 Base-Backbone interact. energy: -0.001 local terms energy: -35.984500 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -7.239 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: -25835.490 (S_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: 171 Temperature: 1.000000 Total energy: -25730.422702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25730.422702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.818173 (E_RNA) where: Base-Base interactions energy: -63.734 where: short stacking energy: -23.390 Base-Backbone interact. energy: -0.002 local terms energy: -36.082360 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -7.697 Dist. restrs. and SS energy: -25630.605 (S_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: 171 Temperature: 1.050000 Total energy: -26283.366111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26283.366111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.862644 (E_RNA) where: Base-Base interactions energy: -63.863 where: short stacking energy: -25.790 Base-Backbone interact. energy: -0.004 local terms energy: -31.995664 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: -26187.503 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -25696.507386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25696.507386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.425995 (E_RNA) where: Base-Base interactions energy: -54.952 where: short stacking energy: -18.846 Base-Backbone interact. energy: -0.020 local terms energy: -23.453362 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: -25618.081 (S_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: 171 Temperature: 1.150000 Total energy: -26106.970926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26106.970926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.318319 (E_RNA) where: Base-Base interactions energy: -64.089 where: short stacking energy: -21.504 Base-Backbone interact. energy: -0.046 local terms energy: -23.182457 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -0.153 Dist. restrs. and SS energy: -26019.653 (S_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: 171 Temperature: 1.200000 Total energy: -25777.516665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25777.516665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.252797 (E_RNA) where: Base-Base interactions energy: -55.386 where: short stacking energy: -27.516 Base-Backbone interact. energy: -0.369 local terms energy: -28.497112 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -5.603 Dist. restrs. and SS energy: -25693.264 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -26083.167070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26083.167070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.178452 (E_RNA) where: Base-Base interactions energy: -52.171 where: short stacking energy: -19.433 Base-Backbone interact. energy: -0.092 local terms energy: -25.915620 where: bonds (distance) C4'-P energy: -5.022 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: 0.710 Dist. restrs. and SS energy: -26004.989 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -25701.061228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25701.061228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.787250 (E_RNA) where: Base-Base interactions energy: -55.309 where: short stacking energy: -28.226 Base-Backbone interact. energy: -1.556 local terms energy: -32.922663 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: -25611.274 (S_DIST_RNA) chem. 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: -26060.011072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26060.011072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.119598 (E_RNA) where: Base-Base interactions energy: -60.896 where: short stacking energy: -24.515 Base-Backbone interact. energy: -1.141 local terms energy: -24.082952 where: bonds (distance) C4'-P energy: -1.631 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: -25973.891 (S_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: 172 Temperature: 0.900000 Total energy: -28465.121356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28465.121356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.737582 (E_RNA) where: Base-Base interactions energy: -76.406 where: short stacking energy: -27.787 Base-Backbone interact. energy: -0.003 local terms energy: -27.328243 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: -28361.384 (S_DIST_RNA) chem. 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: -26037.452216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26037.452216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.485219 (E_RNA) where: Base-Base interactions energy: -64.061 where: short stacking energy: -34.117 Base-Backbone interact. energy: -0.850 local terms energy: -33.574079 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: -25938.967 (S_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: 172 Temperature: 1.000000 Total energy: -26413.156568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26413.156568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.459295 (E_RNA) where: Base-Base interactions energy: -66.286 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.164 local terms energy: -32.008737 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: -26314.697 (S_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: 172 Temperature: 1.050000 Total energy: -25849.469806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25849.469806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.618828 (E_RNA) where: Base-Base interactions energy: -67.051 where: short stacking energy: -18.513 Base-Backbone interact. energy: -0.003 local terms energy: -30.565069 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: -25751.851 (S_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: 172 Temperature: 1.100000 Total energy: -26254.937346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26254.937346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.221532 (E_RNA) where: Base-Base interactions energy: -66.805 where: short stacking energy: -28.871 Base-Backbone interact. energy: -0.001 local terms energy: -31.415795 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -0.154 tors. eta vs tors. theta energy: -8.364 Dist. restrs. and SS energy: -26156.716 (S_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: 172 Temperature: 1.150000 Total energy: -25954.818389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25954.818389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.621651 (E_RNA) where: Base-Base interactions energy: -57.806 where: short stacking energy: -28.114 Base-Backbone interact. energy: -0.101 local terms energy: -32.714583 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: -25864.197 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -26258.849358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26258.849358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.553287 (E_RNA) where: Base-Base interactions energy: -61.706 where: short stacking energy: -19.378 Base-Backbone interact. energy: -0.076 local terms energy: -24.770932 where: bonds (distance) C4'-P energy: -4.664 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -1.220 Dist. restrs. and SS energy: -26172.296 (S_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: 172 Temperature: 1.250000 Total energy: -25929.850377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25929.850377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.917531 (E_RNA) where: Base-Base interactions energy: -60.462 where: short stacking energy: -25.661 Base-Backbone interact. energy: -0.005 local terms energy: -28.451045 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: -25840.933 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -26197.194294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26197.194294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.532402 (E_RNA) where: Base-Base interactions energy: -68.185 where: short stacking energy: -26.273 Base-Backbone interact. energy: -0.001 local terms energy: -19.347270 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: 3.382 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: -26109.662 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -25845.894526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25845.894526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.180337 (E_RNA) where: Base-Base interactions energy: -57.446 where: short stacking energy: -28.902 Base-Backbone interact. energy: 1.923 local terms energy: -21.657281 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -3.094 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: -25768.714 (S_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: 173 Temperature: 0.900000 Total energy: -28557.148979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28557.148979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.780479 (E_RNA) where: Base-Base interactions energy: -58.518 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.005 local terms energy: -37.257603 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -8.125 Dist. restrs. and SS energy: -28461.369 (S_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: 173 Temperature: 0.950000 Total energy: -26514.778975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26514.778975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.946629 (E_RNA) where: Base-Base interactions energy: -67.026 where: short stacking energy: -32.010 Base-Backbone interact. energy: -0.000 local terms energy: -34.920841 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -7.444 Dist. restrs. and SS energy: -26412.832 (S_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: 173 Temperature: 1.000000 Total energy: -26158.075447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26158.075447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.632564 (E_RNA) where: Base-Base interactions energy: -61.321 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.003 local terms energy: -32.308473 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: -26064.443 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -26365.283823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26365.283823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.185804 (E_RNA) where: Base-Base interactions energy: -64.388 where: short stacking energy: -31.406 Base-Backbone interact. energy: -1.053 local terms energy: -30.744820 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.630 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: -26269.098 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -25977.104652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25977.104652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.486774 (E_RNA) where: Base-Base interactions energy: -61.171 where: short stacking energy: -31.164 Base-Backbone interact. energy: -0.001 local terms energy: -34.314559 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: -25881.618 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -26452.079356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26452.079356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.304692 (E_RNA) where: Base-Base interactions energy: -55.234 where: short stacking energy: -23.338 Base-Backbone interact. energy: -0.567 local terms energy: -23.503469 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: 1.943 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: -26372.775 (S_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: 173 Temperature: 1.200000 Total energy: -26201.518495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26201.518495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.290671 (E_RNA) where: Base-Base interactions energy: -56.929 where: short stacking energy: -24.909 Base-Backbone interact. energy: -0.126 local terms energy: -23.235095 where: bonds (distance) C4'-P energy: -3.647 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: -26121.228 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -26348.297087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26348.297087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.368008 (E_RNA) where: Base-Base interactions energy: -60.174 where: short stacking energy: -22.489 Base-Backbone interact. energy: -0.001 local terms energy: -27.192659 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -5.210 Dist. restrs. and SS energy: -26260.929 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -26060.570432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26060.570432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.951613 (E_RNA) where: Base-Base interactions energy: -56.953 where: short stacking energy: -31.990 Base-Backbone interact. energy: -0.611 local terms energy: -28.387105 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -8.957 Dist. restrs. and SS energy: -25974.619 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -26073.097664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26073.097664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.894324 (E_RNA) where: Base-Base interactions energy: -53.574 where: short stacking energy: -19.953 Base-Backbone interact. energy: 0.778 local terms energy: -27.098295 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -1.719 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: -25993.203 (S_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: 174 Temperature: 0.900000 Total energy: -28672.949184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28672.949184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.815392 (E_RNA) where: Base-Base interactions energy: -64.851 where: short stacking energy: -23.254 Base-Backbone interact. energy: -0.005 local terms energy: -29.959384 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: -28578.134 (S_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: 174 Temperature: 0.950000 Total energy: -26614.818332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26614.818332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.471428 (E_RNA) where: Base-Base interactions energy: -70.145 where: short stacking energy: -25.610 Base-Backbone interact. energy: -0.005 local terms energy: -24.320845 where: bonds (distance) C4'-P energy: -6.268 bonds (distance) P-C4' energy: -5.193 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -0.943 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: -26520.347 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -26481.699098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26481.699098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.688675 (E_RNA) where: Base-Base interactions energy: -71.408 where: short stacking energy: -34.080 Base-Backbone interact. energy: -0.169 local terms energy: -31.112040 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: -26379.010 (S_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: 174 Temperature: 1.050000 Total energy: -26291.359305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26291.359305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.770836 (E_RNA) where: Base-Base interactions energy: -63.161 where: short stacking energy: -21.546 Base-Backbone interact. energy: -0.003 local terms energy: -28.606572 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: -26199.588 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -26838.050367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26838.050367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.780229 (E_RNA) where: Base-Base interactions energy: -53.906 where: short stacking energy: -20.828 Base-Backbone interact. energy: -1.129 local terms energy: -25.744976 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: -26757.270 (S_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: 174 Temperature: 1.150000 Total energy: -26120.014215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26120.014215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.559526 (E_RNA) where: Base-Base interactions energy: -61.734 where: short stacking energy: -27.068 Base-Backbone interact. energy: -0.041 local terms energy: -26.784536 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: -26031.455 (S_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: 174 Temperature: 1.200000 Total energy: -26540.588627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26540.588627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.559556 (E_RNA) where: Base-Base interactions energy: -61.769 where: short stacking energy: -29.112 Base-Backbone interact. energy: -0.095 local terms energy: -28.695895 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: -26450.029 (S_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: 174 Temperature: 1.250000 Total energy: -26407.075521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26407.075521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.938951 (E_RNA) where: Base-Base interactions energy: -64.969 where: short stacking energy: -27.699 Base-Backbone interact. energy: 0.004 local terms energy: -20.973912 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -0.325 flat angles P-C4'-P energy: -1.477 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: -26321.137 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -26227.842427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26227.842427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.288131 (E_RNA) where: Base-Base interactions energy: -57.804 where: short stacking energy: -26.250 Base-Backbone interact. energy: -1.020 local terms energy: -28.463911 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -5.884 Dist. restrs. and SS energy: -26140.554 (S_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: 174 Temperature: 1.350000 Total energy: -26268.859004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26268.859004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.789370 (E_RNA) where: Base-Base interactions energy: -49.988 where: short stacking energy: -17.437 Base-Backbone interact. energy: 4.122 local terms energy: -16.923896 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -0.507 tors. eta vs tors. theta energy: 2.316 Dist. restrs. and SS energy: -26206.070 (S_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: 175 Temperature: 0.900000 Total energy: -28766.668474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28766.668474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.981660 (E_RNA) where: Base-Base interactions energy: -69.737 where: short stacking energy: -28.024 Base-Backbone interact. energy: -0.000 local terms energy: -32.244108 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.505 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: -28664.687 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -26738.007312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26738.007312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.250347 (E_RNA) where: Base-Base interactions energy: -64.954 where: short stacking energy: -27.997 Base-Backbone interact. energy: -0.002 local terms energy: -30.293795 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -6.760 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: -26642.757 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -26575.432620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26575.432620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.923837 (E_RNA) where: Base-Base interactions energy: -64.908 where: short stacking energy: -23.655 Base-Backbone interact. energy: -0.052 local terms energy: -34.963937 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -7.008 Dist. restrs. and SS energy: -26475.509 (S_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: 175 Temperature: 1.050000 Total energy: -27039.872304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27039.872304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.998281 (E_RNA) where: Base-Base interactions energy: -62.690 where: short stacking energy: -26.002 Base-Backbone interact. energy: -0.968 local terms energy: -26.339894 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -3.685 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -5.922 Dist. restrs. and SS energy: -26949.874 (S_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: 175 Temperature: 1.100000 Total energy: -26401.913282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26401.913282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.242992 (E_RNA) where: Base-Base interactions energy: -60.367 where: short stacking energy: -28.991 Base-Backbone interact. energy: -1.665 local terms energy: -29.210986 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.233 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -1.700 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: -26310.670 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -26671.790067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26671.790067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.760493 (E_RNA) where: Base-Base interactions energy: -57.160 where: short stacking energy: -20.640 Base-Backbone interact. energy: 0.295 local terms energy: -30.895984 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: -26584.030 (S_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: 175 Temperature: 1.200000 Total energy: -26260.587506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26260.587506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.041449 (E_RNA) where: Base-Base interactions energy: -61.263 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.009 local terms energy: -26.769468 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: -26172.546 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -26347.853030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26347.853030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.472649 (E_RNA) where: Base-Base interactions energy: -62.809 where: short stacking energy: -25.031 Base-Backbone interact. energy: -0.137 local terms energy: -29.526047 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: -26255.380 (S_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: 175 Temperature: 1.300000 Total energy: -26606.294734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26606.294734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.331187 (E_RNA) where: Base-Base interactions energy: -63.418 where: short stacking energy: -30.692 Base-Backbone interact. energy: -0.003 local terms energy: -31.909913 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: -26510.964 (S_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: 175 Temperature: 1.350000 Total energy: -26795.434327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26795.434327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.675478 (E_RNA) where: Base-Base interactions energy: -56.631 where: short stacking energy: -24.078 Base-Backbone interact. energy: -0.112 local terms energy: -26.931690 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -1.707 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: -26711.759 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -28870.719942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28870.719942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.186766 (E_RNA) where: Base-Base interactions energy: -61.444 where: short stacking energy: -32.386 Base-Backbone interact. energy: -0.000 local terms energy: -33.742970 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -8.116 Dist. restrs. and SS energy: -28775.533 (S_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: 176 Temperature: 0.950000 Total energy: -26850.377646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26850.377646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.726082 (E_RNA) where: Base-Base interactions energy: -61.915 where: short stacking energy: -27.345 Base-Backbone interact. energy: -0.811 local terms energy: -36.000312 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -8.250 Dist. restrs. and SS energy: -26751.652 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -27172.645937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27172.645937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.658654 (E_RNA) where: Base-Base interactions energy: -59.788 where: short stacking energy: -25.003 Base-Backbone interact. energy: -0.080 local terms energy: -27.791248 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -0.510 tors. eta vs tors. theta energy: -5.912 Dist. restrs. and SS energy: -27084.987 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -26710.139531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26710.139531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.899332 (E_RNA) where: Base-Base interactions energy: -63.382 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.049 local terms energy: -25.468116 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.015 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: -26621.240 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -26804.918748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26804.918748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.068719 (E_RNA) where: Base-Base interactions energy: -62.974 where: short stacking energy: -26.986 Base-Backbone interact. energy: -0.377 local terms energy: -30.717848 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: -26710.850 (S_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: 176 Temperature: 1.150000 Total energy: -26517.510531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26517.510531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.531007 (E_RNA) where: Base-Base interactions energy: -63.553 where: short stacking energy: -27.061 Base-Backbone interact. energy: -0.004 local terms energy: -29.974486 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -7.057 Dist. restrs. and SS energy: -26423.980 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -26506.223703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26506.223703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.843287 (E_RNA) where: Base-Base interactions energy: -60.434 where: short stacking energy: -28.347 Base-Backbone interact. energy: -0.379 local terms energy: -35.030875 where: bonds (distance) C4'-P energy: -4.136 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -8.488 Dist. restrs. and SS energy: -26410.380 (S_DIST_RNA) chem. 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: -26455.082497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26455.082497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.766833 (E_RNA) where: Base-Base interactions energy: -60.478 where: short stacking energy: -24.507 Base-Backbone interact. energy: -0.004 local terms energy: -29.284404 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -1.654 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: -26365.316 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -26972.044024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26972.044024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.761126 (E_RNA) where: Base-Base interactions energy: -51.962 where: short stacking energy: -25.684 Base-Backbone interact. energy: -0.005 local terms energy: -23.793660 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -1.380 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: -26896.283 (S_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: 176 Temperature: 1.350000 Total energy: -26778.923624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26778.923624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.999888 (E_RNA) where: Base-Base interactions energy: -42.800 where: short stacking energy: -17.961 Base-Backbone interact. energy: -0.062 local terms energy: -24.137364 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: 0.476 Dist. restrs. and SS energy: -26711.924 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -28984.919019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28984.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.462800 (E_RNA) where: Base-Base interactions energy: -66.447 where: short stacking energy: -34.645 Base-Backbone interact. energy: -0.001 local terms energy: -37.015197 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -8.118 Dist. restrs. and SS energy: -28881.456 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -27282.256392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27282.256392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.692667 (E_RNA) where: Base-Base interactions energy: -60.926 where: short stacking energy: -19.441 Base-Backbone interact. energy: -0.005 local terms energy: -28.761197 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: -27192.564 (S_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: 177 Temperature: 1.000000 Total energy: -26945.964949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26945.964949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.512421 (E_RNA) where: Base-Base interactions energy: -61.956 where: short stacking energy: -32.914 Base-Backbone interact. energy: -0.002 local terms energy: -35.554934 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -7.786 Dist. restrs. and SS energy: -26848.453 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -26936.153790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26936.153790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.499843 (E_RNA) where: Base-Base interactions energy: -69.852 where: short stacking energy: -34.007 Base-Backbone interact. energy: -0.000 local terms energy: -34.647350 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -8.474 Dist. restrs. and SS energy: -26831.654 (S_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: 177 Temperature: 1.100000 Total energy: -26850.555579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26850.555579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.253097 (E_RNA) where: Base-Base interactions energy: -58.517 where: short stacking energy: -25.131 Base-Backbone interact. energy: -0.067 local terms energy: -31.668823 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: -26760.302 (S_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: 177 Temperature: 1.150000 Total energy: -26634.167224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26634.167224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.603008 (E_RNA) where: Base-Base interactions energy: -64.482 where: short stacking energy: -29.421 Base-Backbone interact. energy: 0.595 local terms energy: -25.716763 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: -26544.564 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -26754.536323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26754.536323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.843116 (E_RNA) where: Base-Base interactions energy: -55.886 where: short stacking energy: -24.541 Base-Backbone interact. energy: -0.011 local terms energy: -26.946227 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: -26671.693 (S_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: 177 Temperature: 1.250000 Total energy: -27117.436007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27117.436007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.811824 (E_RNA) where: Base-Base interactions energy: -62.272 where: short stacking energy: -27.167 Base-Backbone interact. energy: -0.591 local terms energy: -31.948377 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: -27022.624 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -26611.678549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26611.678549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.595762 (E_RNA) where: Base-Base interactions energy: -52.738 where: short stacking energy: -24.043 Base-Backbone interact. energy: 0.963 local terms energy: -23.820848 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: -26536.083 (S_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: 177 Temperature: 1.350000 Total energy: -26985.823755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26985.823755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.135848 (E_RNA) where: Base-Base interactions energy: -59.466 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.002 local terms energy: -30.667551 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: -26895.688 (S_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: 178 Temperature: 0.900000 Total energy: -29078.637588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29078.637588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.430705 (E_RNA) where: Base-Base interactions energy: -67.564 where: short stacking energy: -28.330 Base-Backbone interact. energy: -0.002 local terms energy: -30.864495 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: -28980.207 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -27382.446498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27382.446498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.426802 (E_RNA) where: Base-Base interactions energy: -65.331 where: short stacking energy: -24.800 Base-Backbone interact. energy: 0.182 local terms energy: -26.277716 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -3.169 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: -27291.020 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -27020.267414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27020.267414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.080781 (E_RNA) where: Base-Base interactions energy: -58.947 where: short stacking energy: -27.673 Base-Backbone interact. energy: -0.001 local terms energy: -31.132695 where: bonds (distance) C4'-P energy: -5.784 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: -26930.187 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -27071.402195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27071.402195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.517454 (E_RNA) where: Base-Base interactions energy: -61.607 where: short stacking energy: -29.236 Base-Backbone interact. energy: -0.004 local terms energy: -32.905983 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: -26976.885 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -26971.609651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26971.609651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.304089 (E_RNA) where: Base-Base interactions energy: -64.910 where: short stacking energy: -21.910 Base-Backbone interact. energy: -0.001 local terms energy: -27.393153 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -0.689 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: -26879.306 (S_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: 178 Temperature: 1.150000 Total energy: -26818.609552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26818.609552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.593179 (E_RNA) where: Base-Base interactions energy: -56.931 where: short stacking energy: -22.496 Base-Backbone interact. energy: -0.009 local terms energy: -23.653027 where: bonds (distance) C4'-P energy: -4.831 bonds (distance) P-C4' energy: -3.619 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: -26738.016 (S_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: 178 Temperature: 1.200000 Total energy: -27245.253232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27245.253232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.595717 (E_RNA) where: Base-Base interactions energy: -61.612 where: short stacking energy: -26.694 Base-Backbone interact. energy: -0.012 local terms energy: -28.971566 where: bonds (distance) C4'-P energy: -3.375 bonds (distance) P-C4' energy: -6.253 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: -27154.658 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -26939.327082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26939.327082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.651076 (E_RNA) where: Base-Base interactions energy: -60.934 where: short stacking energy: -26.317 Base-Backbone interact. energy: -0.002 local terms energy: -30.714151 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: -26847.676 (S_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: 178 Temperature: 1.300000 Total energy: -27156.455713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27156.455713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.177409 (E_RNA) where: Base-Base interactions energy: -61.837 where: short stacking energy: -23.105 Base-Backbone interact. energy: 0.733 local terms energy: -31.073411 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: -27064.278 (S_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: 178 Temperature: 1.350000 Total energy: -26805.210854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26805.210854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.412192 (E_RNA) where: Base-Base interactions energy: -54.582 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.089 local terms energy: -20.741027 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -2.030 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: -26729.799 (S_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: 179 Temperature: 0.900000 Total energy: -29170.516729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29170.516729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.483284 (E_RNA) where: Base-Base interactions energy: -69.615 where: short stacking energy: -30.272 Base-Backbone interact. energy: -0.003 local terms energy: -32.865694 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: -29068.033 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -27764.029408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27764.029408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.053541 (E_RNA) where: Base-Base interactions energy: -60.256 where: short stacking energy: -20.495 Base-Backbone interact. energy: -0.102 local terms energy: -28.695884 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: -27674.976 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -27184.565475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27184.565475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.623831 (E_RNA) where: Base-Base interactions energy: -68.246 where: short stacking energy: -30.092 Base-Backbone interact. energy: -0.244 local terms energy: -26.133968 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -0.077 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: -27089.942 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -27194.875354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27194.875354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.261973 (E_RNA) where: Base-Base interactions energy: -65.998 where: short stacking energy: -26.592 Base-Backbone interact. energy: -0.220 local terms energy: -33.044455 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: -27095.613 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -27096.014530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27096.014530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.086046 (E_RNA) where: Base-Base interactions energy: -59.340 where: short stacking energy: -24.888 Base-Backbone interact. energy: -1.003 local terms energy: -23.742818 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.272 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -0.207 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: -27011.928 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -27385.014208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27385.014208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.731737 (E_RNA) where: Base-Base interactions energy: -57.942 where: short stacking energy: -26.736 Base-Backbone interact. energy: -0.011 local terms energy: -27.779195 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: -27299.282 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -26965.679913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26965.679913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.707843 (E_RNA) where: Base-Base interactions energy: -63.259 where: short stacking energy: -35.320 Base-Backbone interact. energy: -0.000 local terms energy: -33.448164 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -9.776 Dist. restrs. and SS energy: -26868.972 (S_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: 179 Temperature: 1.250000 Total energy: -27310.836549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27310.836549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.028726 (E_RNA) where: Base-Base interactions energy: -69.340 where: short stacking energy: -34.555 Base-Backbone interact. energy: -0.000 local terms energy: -28.688381 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -1.232 tors. eta vs tors. theta energy: -8.422 Dist. restrs. and SS energy: -27212.808 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -27114.348731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27114.348731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.782029 (E_RNA) where: Base-Base interactions energy: -65.773 where: short stacking energy: -28.858 Base-Backbone interact. energy: -0.003 local terms energy: -19.005205 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -1.428 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: -27029.567 (S_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: 179 Temperature: 1.350000 Total energy: -27022.637300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27022.637300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.890654 (E_RNA) where: Base-Base interactions energy: -49.867 where: short stacking energy: -21.811 Base-Backbone interact. energy: -0.030 local terms energy: -26.994105 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -5.079 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: -26945.747 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -29277.960428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29277.960428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.116695 (E_RNA) where: Base-Base interactions energy: -70.043 where: short stacking energy: -27.570 Base-Backbone interact. energy: -0.001 local terms energy: -33.072623 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: -29174.844 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -28234.952934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28234.952934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.542865 (E_RNA) where: Base-Base interactions energy: -66.750 where: short stacking energy: -24.063 Base-Backbone interact. energy: -0.926 local terms energy: -24.867303 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.434 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -1.073 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: -28142.410 (S_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: 180 Temperature: 1.000000 Total energy: -27301.846709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27301.846709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.362419 (E_RNA) where: Base-Base interactions energy: -68.794 where: short stacking energy: -26.897 Base-Backbone interact. energy: -0.003 local terms energy: -33.565228 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: -27199.484 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -27302.893324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27302.893324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.318728 (E_RNA) where: Base-Base interactions energy: -65.225 where: short stacking energy: -30.262 Base-Backbone interact. energy: -0.000 local terms energy: -31.092988 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: -27206.575 (S_DIST_RNA) chem. 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: -27546.719311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27546.719311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.428771 (E_RNA) where: Base-Base interactions energy: -62.587 where: short stacking energy: -31.445 Base-Backbone interact. energy: -0.000 local terms energy: -33.841277 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: -27450.291 (S_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: 180 Temperature: 1.150000 Total energy: -27263.670718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27263.670718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.119528 (E_RNA) where: Base-Base interactions energy: -58.873 where: short stacking energy: -24.120 Base-Backbone interact. energy: 0.568 local terms energy: -22.813937 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: -27182.551 (S_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: 180 Temperature: 1.200000 Total energy: -27445.651337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27445.651337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.427794 (E_RNA) where: Base-Base interactions energy: -59.646 where: short stacking energy: -22.280 Base-Backbone interact. energy: -0.932 local terms energy: -25.849233 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: -27359.224 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -27109.243807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27109.243807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.661665 (E_RNA) where: Base-Base interactions energy: -65.774 where: short stacking energy: -34.762 Base-Backbone interact. energy: -0.061 local terms energy: -23.826814 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: -27019.582 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -27297.698658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27297.698658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.592154 (E_RNA) where: Base-Base interactions energy: -62.735 where: short stacking energy: -28.166 Base-Backbone interact. energy: -0.020 local terms energy: -28.837090 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: -27206.107 (S_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: -27200.303056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27200.303056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.560045 (E_RNA) where: Base-Base interactions energy: -65.602 where: short stacking energy: -32.704 Base-Backbone interact. energy: -0.922 local terms energy: -29.035393 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: -27104.743 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -29373.427978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29373.427978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.566571 (E_RNA) where: Base-Base interactions energy: -64.785 where: short stacking energy: -31.446 Base-Backbone interact. energy: -1.574 local terms energy: -36.207402 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -7.568 Dist. restrs. and SS energy: -29270.861 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -28480.105879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28480.105879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.530883 (E_RNA) where: Base-Base interactions energy: -66.923 where: short stacking energy: -26.237 Base-Backbone interact. energy: -0.141 local terms energy: -28.467208 where: bonds (distance) C4'-P energy: -8.159 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -6.663 Dist. restrs. and SS energy: -28384.575 (S_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: 181 Temperature: 1.000000 Total energy: -27431.036077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27431.036077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.321119 (E_RNA) where: Base-Base interactions energy: -69.946 where: short stacking energy: -37.572 Base-Backbone interact. energy: -0.000 local terms energy: -35.374788 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: -27325.715 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -27683.127913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27683.127913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.197171 (E_RNA) where: Base-Base interactions energy: -66.095 where: short stacking energy: -32.039 Base-Backbone interact. energy: -0.000 local terms energy: -33.101877 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: -27583.931 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -27444.855800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27444.855800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.083329 (E_RNA) where: Base-Base interactions energy: -63.521 where: short stacking energy: -27.251 Base-Backbone interact. energy: -0.778 local terms energy: -26.784309 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: -27353.772 (S_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: 181 Temperature: 1.150000 Total energy: -27561.770054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27561.770054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.892270 (E_RNA) where: Base-Base interactions energy: -70.568 where: short stacking energy: -27.492 Base-Backbone interact. energy: 2.026 local terms energy: -25.350194 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -6.762 Dist. restrs. and SS energy: -27467.878 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -27450.143242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27450.143242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.053677 (E_RNA) where: Base-Base interactions energy: -58.667 where: short stacking energy: -22.982 Base-Backbone interact. energy: -0.008 local terms energy: -27.378767 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: -27364.090 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -27420.868278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27420.868278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.895673 (E_RNA) where: Base-Base interactions energy: -63.613 where: short stacking energy: -32.167 Base-Backbone interact. energy: -0.000 local terms energy: -33.282428 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -7.994 Dist. restrs. and SS energy: -27323.973 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -27291.027506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27291.027506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.738346 (E_RNA) where: Base-Base interactions energy: -55.632 where: short stacking energy: -28.196 Base-Backbone interact. energy: -0.013 local terms energy: -28.092483 where: bonds (distance) C4'-P energy: -4.061 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: -27207.289 (S_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: -27370.525876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27370.525876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.312322 (E_RNA) where: Base-Base interactions energy: -63.237 where: short stacking energy: -21.596 Base-Backbone interact. energy: -0.004 local terms energy: -20.071199 where: bonds (distance) C4'-P energy: -2.711 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: -27287.214 (S_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: 182 Temperature: 0.900000 Total energy: -29476.060457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29476.060457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.282791 (E_RNA) where: Base-Base interactions energy: -68.973 where: short stacking energy: -31.978 Base-Backbone interact. energy: -0.002 local terms energy: -29.307729 where: bonds (distance) C4'-P energy: -3.051 bonds (distance) P-C4' energy: -5.017 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -7.459 Dist. restrs. and SS energy: -29377.778 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -28557.955883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28557.955883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.280410 (E_RNA) where: Base-Base interactions energy: -65.115 where: short stacking energy: -22.382 Base-Backbone interact. energy: -0.019 local terms energy: -31.146477 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: -28461.675 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -27794.011616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27794.011616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.610997 (E_RNA) where: Base-Base interactions energy: -67.020 where: short stacking energy: -26.530 Base-Backbone interact. energy: -0.087 local terms energy: -24.503565 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -5.478 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -2.157 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: -27702.401 (S_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: 182 Temperature: 1.050000 Total energy: -27540.094091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27540.094091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.617775 (E_RNA) where: Base-Base interactions energy: -62.160 where: short stacking energy: -30.800 Base-Backbone interact. energy: -0.001 local terms energy: -31.457225 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -1.704 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: -27446.476 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -27705.885837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27705.885837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.279671 (E_RNA) where: Base-Base interactions energy: -64.020 where: short stacking energy: -35.298 Base-Backbone interact. energy: -0.001 local terms energy: -35.258258 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -9.415 Dist. restrs. and SS energy: -27606.606 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -27586.876753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27586.876753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.399761 (E_RNA) where: Base-Base interactions energy: -67.542 where: short stacking energy: -33.980 Base-Backbone interact. energy: -0.000 local terms energy: -35.857953 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -8.976 Dist. restrs. and SS energy: -27483.477 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -27716.190525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27716.190525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.628565 (E_RNA) where: Base-Base interactions energy: -54.719 where: short stacking energy: -22.851 Base-Backbone interact. energy: 0.186 local terms energy: -25.095524 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -4.278 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: -27636.562 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -27600.392385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27600.392385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.391583 (E_RNA) where: Base-Base interactions energy: -50.732 where: short stacking energy: -18.462 Base-Backbone interact. energy: 0.449 local terms energy: -26.108201 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: -27524.001 (S_DIST_RNA) chem. 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: -27496.354642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27496.354642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.013045 (E_RNA) where: Base-Base interactions energy: -57.711 where: short stacking energy: -29.934 Base-Backbone interact. energy: 0.094 local terms energy: -24.396005 where: bonds (distance) C4'-P energy: -2.293 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: -27414.342 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -27491.896594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27491.896594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.829695 (E_RNA) where: Base-Base interactions energy: -57.858 where: short stacking energy: -32.040 Base-Backbone interact. energy: -0.001 local terms energy: -31.971179 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -1.550 tors. eta vs tors. theta energy: -7.831 Dist. restrs. and SS energy: -27402.067 (S_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: 183 Temperature: 0.900000 Total energy: -29593.975724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29593.975724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.248203 (E_RNA) where: Base-Base interactions energy: -65.208 where: short stacking energy: -31.167 Base-Backbone interact. energy: -0.001 local terms energy: -38.039170 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -8.488 Dist. restrs. and SS energy: -29490.728 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -28898.239298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28898.239298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.039252 (E_RNA) where: Base-Base interactions energy: -70.387 where: short stacking energy: -23.066 Base-Backbone interact. energy: 0.593 local terms energy: -26.245670 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -0.077 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: -28802.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -27932.824602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27932.824602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.574493 (E_RNA) where: Base-Base interactions energy: -74.310 where: short stacking energy: -30.512 Base-Backbone interact. energy: -0.014 local terms energy: -30.251418 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -1.917 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: -27828.250 (S_DIST_RNA) chem. 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: -27826.067885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27826.067885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.543896 (E_RNA) where: Base-Base interactions energy: -73.847 where: short stacking energy: -34.143 Base-Backbone interact. energy: -0.000 local terms energy: -34.696524 where: bonds (distance) C4'-P energy: -4.517 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: -27717.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -27656.460975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27656.460975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.547396 (E_RNA) where: Base-Base interactions energy: -65.544 where: short stacking energy: -28.265 Base-Backbone interact. energy: -0.012 local terms energy: -35.990742 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: -27554.914 (S_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: 183 Temperature: 1.150000 Total energy: -27964.102788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27964.102788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.172577 (E_RNA) where: Base-Base interactions energy: -57.573 where: short stacking energy: -25.234 Base-Backbone interact. energy: -0.020 local terms energy: -22.579963 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: -27883.930 (S_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: 183 Temperature: 1.200000 Total energy: -27713.760389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27713.760389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.870837 (E_RNA) where: Base-Base interactions energy: -63.671 where: short stacking energy: -31.876 Base-Backbone interact. energy: -0.000 local terms energy: -34.199518 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -7.305 Dist. restrs. and SS energy: -27615.890 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -27772.775874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27772.775874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.619976 (E_RNA) where: Base-Base interactions energy: -54.527 where: short stacking energy: -28.586 Base-Backbone interact. energy: -0.000 local terms energy: -31.092441 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -7.641 Dist. restrs. and SS energy: -27687.156 (S_DIST_RNA) chem. 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: -27687.523991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27687.523991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.081442 (E_RNA) where: Base-Base interactions energy: -62.962 where: short stacking energy: -27.549 Base-Backbone interact. energy: -0.004 local terms energy: -25.115573 where: bonds (distance) C4'-P energy: -1.598 bonds (distance) P-C4' energy: -4.890 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: -27599.443 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -27647.656887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27647.656887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.126346 (E_RNA) where: Base-Base interactions energy: -63.701 where: short stacking energy: -22.638 Base-Backbone interact. energy: 3.062 local terms energy: -19.487344 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -6.082 flat angles C4'-P-C4' energy: -1.841 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: -27567.531 (S_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: 184 Temperature: 0.900000 Total energy: -29691.956961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29691.956961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.666201 (E_RNA) where: Base-Base interactions energy: -71.615 where: short stacking energy: -28.804 Base-Backbone interact. energy: -0.002 local terms energy: -31.049585 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: -29589.291 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -29306.749908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29306.749908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.831209 (E_RNA) where: Base-Base interactions energy: -72.960 where: short stacking energy: -27.920 Base-Backbone interact. energy: -0.088 local terms energy: -27.782942 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -4.926 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -7.179 Dist. restrs. and SS energy: -29205.919 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -28061.950604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28061.950604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.963861 (E_RNA) where: Base-Base interactions energy: -62.988 where: short stacking energy: -26.195 Base-Backbone interact. energy: -0.060 local terms energy: -32.916118 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -5.502 Dist. restrs. and SS energy: -27965.987 (S_DIST_RNA) chem. 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: -27923.278964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27923.278964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.771427 (E_RNA) where: Base-Base interactions energy: -68.565 where: short stacking energy: -34.294 Base-Backbone interact. energy: -0.001 local terms energy: -27.205497 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -4.553 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -1.253 tors. eta vs tors. theta energy: -7.271 Dist. restrs. and SS energy: -27827.508 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -28208.687460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28208.687460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.028043 (E_RNA) where: Base-Base interactions energy: -59.079 where: short stacking energy: -26.296 Base-Backbone interact. energy: -0.001 local terms energy: -31.947968 where: bonds (distance) C4'-P energy: -8.428 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: -28117.659 (S_DIST_RNA) chem. 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: -27769.746478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27769.746478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.056140 (E_RNA) where: Base-Base interactions energy: -63.963 where: short stacking energy: -27.569 Base-Backbone interact. energy: -0.980 local terms energy: -33.113725 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: -27671.690 (S_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: 184 Temperature: 1.200000 Total energy: -27923.445879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27923.445879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.743923 (E_RNA) where: Base-Base interactions energy: -59.985 where: short stacking energy: -28.824 Base-Backbone interact. energy: -0.001 local terms energy: -34.757468 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: -27828.702 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -27864.727319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27864.727319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.278184 (E_RNA) where: Base-Base interactions energy: -66.179 where: short stacking energy: -32.623 Base-Backbone interact. energy: -1.419 local terms energy: -26.680371 where: bonds (distance) C4'-P energy: -2.065 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -6.494 Dist. restrs. and SS energy: -27770.449 (S_DIST_RNA) chem. 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: -27837.617047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27837.617047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.236227 (E_RNA) where: Base-Base interactions energy: -64.834 where: short stacking energy: -31.519 Base-Backbone interact. energy: -0.000 local terms energy: -35.401966 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -9.324 Dist. restrs. and SS energy: -27737.381 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -27788.115967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27788.115967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.762753 (E_RNA) where: Base-Base interactions energy: -49.367 where: short stacking energy: -20.504 Base-Backbone interact. energy: -0.930 local terms energy: -25.465500 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: -27712.353 (S_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: 185 Temperature: 0.900000 Total energy: -29776.637115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29776.637115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.252237 (E_RNA) where: Base-Base interactions energy: -65.674 where: short stacking energy: -32.317 Base-Backbone interact. energy: -0.236 local terms energy: -34.342011 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -7.978 Dist. restrs. and SS energy: -29676.385 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -29738.458288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29738.458288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.457567 (E_RNA) where: Base-Base interactions energy: -68.491 where: short stacking energy: -26.713 Base-Backbone interact. energy: -0.086 local terms energy: -30.880345 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: -29639.001 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -28137.733291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28137.733291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.232409 (E_RNA) where: Base-Base interactions energy: -67.467 where: short stacking energy: -21.338 Base-Backbone interact. energy: -0.216 local terms energy: -30.549660 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: -28039.501 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -28532.816489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28532.816489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.950410 (E_RNA) where: Base-Base interactions energy: -59.378 where: short stacking energy: -32.221 Base-Backbone interact. energy: -0.001 local terms energy: -28.570829 where: bonds (distance) C4'-P energy: -2.716 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: -28444.866 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -28055.927281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28055.927281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.190378 (E_RNA) where: Base-Base interactions energy: -66.281 where: short stacking energy: -28.075 Base-Backbone interact. energy: -0.003 local terms energy: -27.906328 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: -27961.737 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -28067.065427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28067.065427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.696299 (E_RNA) where: Base-Base interactions energy: -66.307 where: short stacking energy: -27.289 Base-Backbone interact. energy: -0.013 local terms energy: -26.376086 where: bonds (distance) C4'-P energy: -1.779 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: -27974.369 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -27888.319554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27888.319554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.043818 (E_RNA) where: Base-Base interactions energy: -69.671 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.054 local terms energy: -22.318679 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -0.013 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: -27796.276 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -28022.251057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28022.251057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.255682 (E_RNA) where: Base-Base interactions energy: -61.278 where: short stacking energy: -30.584 Base-Backbone interact. energy: -0.685 local terms energy: -29.293001 where: bonds (distance) C4'-P energy: -5.960 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: -27930.995 (S_DIST_RNA) chem. 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: -27990.030393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27990.030393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.594923 (E_RNA) where: Base-Base interactions energy: -64.197 where: short stacking energy: -24.117 Base-Backbone interact. energy: -0.028 local terms energy: -20.370143 where: bonds (distance) C4'-P energy: -2.783 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -0.909 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: -27905.435 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -28024.609999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28024.609999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.059957 (E_RNA) where: Base-Base interactions energy: -57.347 where: short stacking energy: -21.219 Base-Backbone interact. energy: -0.670 local terms energy: -26.043266 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -0.178 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: -27940.550 (S_DIST_RNA) chem. 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: -30131.375231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30131.375231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.394151 (E_RNA) where: Base-Base interactions energy: -64.973 where: short stacking energy: -22.531 Base-Backbone interact. energy: -0.049 local terms energy: -32.372531 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -3.388 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: -30033.981 (S_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: 186 Temperature: 0.950000 Total energy: -29918.019226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29918.019226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.426955 (E_RNA) where: Base-Base interactions energy: -63.791 where: short stacking energy: -26.957 Base-Backbone interact. energy: -0.004 local terms energy: -30.632521 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: -29823.592 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -28719.929050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28719.929050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.190163 (E_RNA) where: Base-Base interactions energy: -65.370 where: short stacking energy: -32.260 Base-Backbone interact. energy: -0.875 local terms energy: -34.945753 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -7.227 Dist. restrs. and SS energy: -28618.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -28247.469184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28247.469184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.016606 (E_RNA) where: Base-Base interactions energy: -61.324 where: short stacking energy: -27.676 Base-Backbone interact. energy: -0.001 local terms energy: -32.692262 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.198 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: -28153.453 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -28184.341298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28184.341298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.198006 (E_RNA) where: Base-Base interactions energy: -59.762 where: short stacking energy: -21.780 Base-Backbone interact. energy: -0.007 local terms energy: -26.428720 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: -28098.143 (S_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: 186 Temperature: 1.150000 Total energy: -28203.247288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28203.247288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.540302 (E_RNA) where: Base-Base interactions energy: -62.408 where: short stacking energy: -31.565 Base-Backbone interact. energy: -0.043 local terms energy: -28.090058 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -1.424 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: -28112.707 (S_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: 186 Temperature: 1.200000 Total energy: -28179.006507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28179.006507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.255330 (E_RNA) where: Base-Base interactions energy: -61.491 where: short stacking energy: -28.286 Base-Backbone interact. energy: -0.000 local terms energy: -33.764180 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: 1.314 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: -28083.751 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -28023.855619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28023.855619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.760762 (E_RNA) where: Base-Base interactions energy: -55.528 where: short stacking energy: -22.383 Base-Backbone interact. energy: -0.001 local terms energy: -24.231689 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: 1.704 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: -27944.095 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -28426.794743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28426.794743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.204617 (E_RNA) where: Base-Base interactions energy: -65.066 where: short stacking energy: -22.014 Base-Backbone interact. energy: -0.986 local terms energy: -24.152211 where: bonds (distance) C4'-P energy: -1.151 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: -28336.590 (S_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: 186 Temperature: 1.350000 Total energy: -28161.860590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28161.860590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.850141 (E_RNA) where: Base-Base interactions energy: -71.842 where: short stacking energy: -24.438 Base-Backbone interact. energy: -0.010 local terms energy: -26.998281 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: -28063.010 (S_DIST_RNA) chem. 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: -30552.930047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30552.930047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.386047 (E_RNA) where: Base-Base interactions energy: -74.047 where: short stacking energy: -26.832 Base-Backbone interact. energy: -0.075 local terms energy: -27.263986 where: bonds (distance) C4'-P energy: -5.515 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: -30451.544 (S_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: 187 Temperature: 0.950000 Total energy: -30018.639285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30018.639285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.877842 (E_RNA) where: Base-Base interactions energy: -60.243 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.639 local terms energy: -32.996254 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: -29924.761 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -28933.937539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28933.937539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.759884 (E_RNA) where: Base-Base interactions energy: -65.354 where: short stacking energy: -31.694 Base-Backbone interact. energy: -0.006 local terms energy: -32.399973 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: -28836.178 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -28397.281900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28397.281900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.644513 (E_RNA) where: Base-Base interactions energy: -63.725 where: short stacking energy: -31.240 Base-Backbone interact. energy: -0.093 local terms energy: -30.826054 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: -28302.637 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -28297.343667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28297.343667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.720157 (E_RNA) where: Base-Base interactions energy: -60.723 where: short stacking energy: -29.205 Base-Backbone interact. energy: -0.002 local terms energy: -29.995413 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: -28206.624 (S_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: 187 Temperature: 1.150000 Total energy: -28342.005904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28342.005904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.876587 (E_RNA) where: Base-Base interactions energy: -66.742 where: short stacking energy: -25.912 Base-Backbone interact. energy: -0.030 local terms energy: -26.104344 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: -28249.129 (S_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: 187 Temperature: 1.200000 Total energy: -28292.532561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28292.532561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.165213 (E_RNA) where: Base-Base interactions energy: -66.758 where: short stacking energy: -31.725 Base-Backbone interact. energy: -0.001 local terms energy: -32.406025 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -8.568 Dist. restrs. and SS energy: -28193.367 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -28654.340566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28654.340566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.072147 (E_RNA) where: Base-Base interactions energy: -67.917 where: short stacking energy: -28.163 Base-Backbone interact. energy: -0.177 local terms energy: -18.978842 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -2.003 flat angles C4'-P-C4' energy: -3.059 flat angles P-C4'-P energy: -0.739 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: -28567.268 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -28206.280770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28206.280770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.551124 (E_RNA) where: Base-Base interactions energy: -62.962 where: short stacking energy: -18.786 Base-Backbone interact. energy: -0.003 local terms energy: -31.586262 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: -28111.730 (S_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: 187 Temperature: 1.350000 Total energy: -28317.521376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28317.521376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.706661 (E_RNA) where: Base-Base interactions energy: -59.025 where: short stacking energy: -27.394 Base-Backbone interact. energy: -0.000 local terms energy: -23.681637 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -1.955 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -1.361 tors. eta vs tors. theta energy: -7.628 Dist. restrs. and SS energy: -28234.815 (S_DIST_RNA) chem. 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: -30901.514882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30901.514882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.194234 (E_RNA) where: Base-Base interactions energy: -71.506 where: short stacking energy: -24.081 Base-Backbone interact. energy: -0.012 local terms energy: -26.676505 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: 0.446 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: -30803.321 (S_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: 188 Temperature: 0.950000 Total energy: -30133.081082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30133.081082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.529523 (E_RNA) where: Base-Base interactions energy: -68.317 where: short stacking energy: -33.343 Base-Backbone interact. energy: -0.776 local terms energy: -34.436619 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -9.205 Dist. restrs. and SS energy: -30029.552 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -29075.196192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29075.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.077591 (E_RNA) where: Base-Base interactions energy: -61.548 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.000 local terms energy: -28.529742 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: -28985.119 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -28514.463658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28514.463658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.518711 (E_RNA) where: Base-Base interactions energy: -65.059 where: short stacking energy: -27.986 Base-Backbone interact. energy: -0.002 local terms energy: -29.456980 where: bonds (distance) C4'-P energy: -6.917 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: -28419.945 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -28495.657736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28495.657736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.944477 (E_RNA) where: Base-Base interactions energy: -63.785 where: short stacking energy: -33.598 Base-Backbone interact. energy: -0.000 local terms energy: -29.159219 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: -28402.713 (S_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: 188 Temperature: 1.150000 Total energy: -28418.110111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28418.110111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.888041 (E_RNA) where: Base-Base interactions energy: -63.094 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.022 local terms energy: -31.772382 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: -28323.222 (S_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: 188 Temperature: 1.200000 Total energy: -28846.011487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28846.011487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.164386 (E_RNA) where: Base-Base interactions energy: -61.416 where: short stacking energy: -28.183 Base-Backbone interact. energy: -0.720 local terms energy: -34.028408 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: -28749.847 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -28432.138421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28432.138421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.803935 (E_RNA) where: Base-Base interactions energy: -55.560 where: short stacking energy: -21.431 Base-Backbone interact. energy: -0.009 local terms energy: -27.235174 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.198 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: -28349.334 (S_DIST_RNA) chem. 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: -28464.170673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28464.170673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.441098 (E_RNA) where: Base-Base interactions energy: -71.068 where: short stacking energy: -21.112 Base-Backbone interact. energy: -0.003 local terms energy: -25.369981 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: -28367.730 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -28364.017609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28364.017609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.431582 (E_RNA) where: Base-Base interactions energy: -62.038 where: short stacking energy: -24.110 Base-Backbone interact. energy: 0.318 local terms energy: -23.711358 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: -28278.586 (S_DIST_RNA) chem. 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: -31069.217267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31069.217267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.798799 (E_RNA) where: Base-Base interactions energy: -65.613 where: short stacking energy: -22.594 Base-Backbone interact. energy: -0.025 local terms energy: -28.160407 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: -30975.418 (S_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: 189 Temperature: 0.950000 Total energy: -30242.976762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30242.976762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.133815 (E_RNA) where: Base-Base interactions energy: -63.896 where: short stacking energy: -31.072 Base-Backbone interact. energy: -0.449 local terms energy: -37.788494 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -10.277 Dist. restrs. and SS energy: -30140.843 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -29244.074027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29244.074027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.320060 (E_RNA) where: Base-Base interactions energy: -53.748 where: short stacking energy: -25.043 Base-Backbone interact. energy: -0.000 local terms energy: -30.572100 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: -29159.754 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -28629.221924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28629.221924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.148675 (E_RNA) where: Base-Base interactions energy: -63.165 where: short stacking energy: -29.187 Base-Backbone interact. energy: -0.000 local terms energy: -33.983640 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.945 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: -28532.073 (S_DIST_RNA) chem. 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: -28638.305257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28638.305257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.897693 (E_RNA) where: Base-Base interactions energy: -61.667 where: short stacking energy: -27.401 Base-Backbone interact. energy: -1.087 local terms energy: -29.143435 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: -28546.408 (S_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: 189 Temperature: 1.150000 Total energy: -28984.994652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28984.994652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.650731 (E_RNA) where: Base-Base interactions energy: -60.676 where: short stacking energy: -25.956 Base-Backbone interact. energy: -0.361 local terms energy: -28.612761 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: -28895.344 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -28626.509906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28626.509906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.239855 (E_RNA) where: Base-Base interactions energy: -64.171 where: short stacking energy: -25.564 Base-Backbone interact. energy: -0.039 local terms energy: -29.029328 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.461 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: -28533.270 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -28606.859038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28606.859038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.338159 (E_RNA) where: Base-Base interactions energy: -57.021 where: short stacking energy: -20.653 Base-Backbone interact. energy: -0.042 local terms energy: -25.275224 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: -28524.521 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -28869.471274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28869.471274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.601740 (E_RNA) where: Base-Base interactions energy: -48.039 where: short stacking energy: -13.046 Base-Backbone interact. energy: -0.095 local terms energy: -26.468302 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.306 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: -28794.870 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -28584.211192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28584.211192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.013676 (E_RNA) where: Base-Base interactions energy: -58.184 where: short stacking energy: -25.175 Base-Backbone interact. energy: -0.001 local terms energy: -27.828420 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -3.547 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -8.172 Dist. restrs. and SS energy: -28498.198 (S_DIST_RNA) chem. 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: -31156.817807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31156.817807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.521895 (E_RNA) where: Base-Base interactions energy: -64.499 where: short stacking energy: -22.255 Base-Backbone interact. energy: -0.025 local terms energy: -30.997593 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: -31061.296 (S_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: 190 Temperature: 0.950000 Total energy: -30347.842575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30347.842575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.763129 (E_RNA) where: Base-Base interactions energy: -70.139 where: short stacking energy: -33.523 Base-Backbone interact. energy: -0.000 local terms energy: -33.624059 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -8.447 Dist. restrs. and SS energy: -30244.079 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -29421.240577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29421.240577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.830641 (E_RNA) where: Base-Base interactions energy: -67.259 where: short stacking energy: -32.689 Base-Backbone interact. energy: -0.177 local terms energy: -36.395101 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -8.471 Dist. restrs. and SS energy: -29317.410 (S_DIST_RNA) chem. 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: -28743.199525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28743.199525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.646039 (E_RNA) where: Base-Base interactions energy: -56.532 where: short stacking energy: -21.508 Base-Backbone interact. energy: -0.001 local terms energy: -36.113321 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -8.546 Dist. restrs. and SS energy: -28650.553 (S_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: 190 Temperature: 1.100000 Total energy: -29140.990606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29140.990606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.607522 (E_RNA) where: Base-Base interactions energy: -64.886 where: short stacking energy: -29.544 Base-Backbone interact. energy: -0.011 local terms energy: -31.709698 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: -29044.383 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -28763.950135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28763.950135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.404220 (E_RNA) where: Base-Base interactions energy: -54.918 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.007 local terms energy: -32.479095 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -6.847 Dist. restrs. and SS energy: -28676.546 (S_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: 190 Temperature: 1.200000 Total energy: -28765.283864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28765.283864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.419879 (E_RNA) where: Base-Base interactions energy: -60.655 where: short stacking energy: -29.863 Base-Backbone interact. energy: -0.000 local terms energy: -34.764980 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -7.401 Dist. restrs. and SS energy: -28669.864 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -28861.404898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28861.404898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.230024 (E_RNA) where: Base-Base interactions energy: -60.074 where: short stacking energy: -24.312 Base-Backbone interact. energy: 1.233 local terms energy: -26.388687 where: bonds (distance) C4'-P energy: -5.559 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -0.301 Dist. restrs. and SS energy: -28776.175 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -29234.781084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29234.781084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.472023 (E_RNA) where: Base-Base interactions energy: -62.330 where: short stacking energy: -26.085 Base-Backbone interact. energy: -0.017 local terms energy: -32.125285 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: -29140.309 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -28783.087242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28783.087242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.325108 (E_RNA) where: Base-Base interactions energy: -49.176 where: short stacking energy: -20.635 Base-Backbone interact. energy: -0.053 local terms energy: -28.096234 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: -28705.762 (S_DIST_RNA) chem. 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: -31247.296086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31247.296086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.668995 (E_RNA) where: Base-Base interactions energy: -65.362 where: short stacking energy: -25.096 Base-Backbone interact. energy: -0.057 local terms energy: -28.250097 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -1.475 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: -31153.627 (S_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: 191 Temperature: 0.950000 Total energy: -30448.625710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30448.625710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.318646 (E_RNA) where: Base-Base interactions energy: -67.072 where: short stacking energy: -34.617 Base-Backbone interact. energy: -0.627 local terms energy: -38.620362 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -10.108 Dist. restrs. and SS energy: -30342.307 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -29549.663468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29549.663468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.663523 (E_RNA) where: Base-Base interactions energy: -68.771 where: short stacking energy: -24.824 Base-Backbone interact. energy: -0.001 local terms energy: -29.891551 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: -29451.000 (S_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: 191 Temperature: 1.050000 Total energy: -29276.164943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29276.164943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.520033 (E_RNA) where: Base-Base interactions energy: -48.328 where: short stacking energy: -16.345 Base-Backbone interact. energy: -0.495 local terms energy: -17.697648 where: bonds (distance) C4'-P energy: -3.842 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: 0.241 tors. eta vs tors. theta energy: 0.584 Dist. restrs. and SS energy: -29209.645 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -28860.687443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28860.687443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.093249 (E_RNA) where: Base-Base interactions energy: -58.699 where: short stacking energy: -20.858 Base-Backbone interact. energy: -0.014 local terms energy: -30.380018 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: -28771.594 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -28915.836139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28915.836139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.479339 (E_RNA) where: Base-Base interactions energy: -67.318 where: short stacking energy: -33.002 Base-Backbone interact. energy: -0.002 local terms energy: -29.159821 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: -28819.357 (S_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: 191 Temperature: 1.200000 Total energy: -28907.486359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28907.486359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.677713 (E_RNA) where: Base-Base interactions energy: -58.381 where: short stacking energy: -19.796 Base-Backbone interact. energy: -0.023 local terms energy: -29.272757 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -1.642 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: -28819.809 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -29407.000567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29407.000567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.728829 (E_RNA) where: Base-Base interactions energy: -61.437 where: short stacking energy: -29.680 Base-Backbone interact. energy: -0.001 local terms energy: -34.290642 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: -29311.272 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -29113.262111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29113.262111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.320470 (E_RNA) where: Base-Base interactions energy: -55.663 where: short stacking energy: -24.608 Base-Backbone interact. energy: -0.002 local terms energy: -24.655777 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: -29032.942 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -28998.579720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28998.579720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.053129 (E_RNA) where: Base-Base interactions energy: -63.765 where: short stacking energy: -25.832 Base-Backbone interact. energy: -0.002 local terms energy: -26.286543 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: -28908.527 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -31364.154173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31364.154173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.329966 (E_RNA) where: Base-Base interactions energy: -70.589 where: short stacking energy: -28.426 Base-Backbone interact. energy: -0.023 local terms energy: -31.717944 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: -31261.824 (S_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: 192 Temperature: 0.950000 Total energy: -30567.773616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30567.773616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.735373 (E_RNA) where: Base-Base interactions energy: -67.626 where: short stacking energy: -34.022 Base-Backbone interact. energy: -0.001 local terms energy: -36.109194 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: -30464.038 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -29665.439837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29665.439837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.415332 (E_RNA) where: Base-Base interactions energy: -67.960 where: short stacking energy: -37.138 Base-Backbone interact. energy: -0.001 local terms energy: -35.454586 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -9.381 Dist. restrs. and SS energy: -29562.025 (S_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: 192 Temperature: 1.050000 Total energy: -29560.064181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29560.064181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.641643 (E_RNA) where: Base-Base interactions energy: -55.647 where: short stacking energy: -28.109 Base-Backbone interact. energy: -0.003 local terms energy: -33.991949 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: -29470.423 (S_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: 192 Temperature: 1.100000 Total energy: -29071.011263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29071.011263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.944608 (E_RNA) where: Base-Base interactions energy: -62.528 where: short stacking energy: -27.634 Base-Backbone interact. energy: -0.003 local terms energy: -31.413418 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -9.330 Dist. restrs. and SS energy: -28977.067 (S_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: 192 Temperature: 1.150000 Total energy: -29026.426605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29026.426605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.256446 (E_RNA) where: Base-Base interactions energy: -69.202 where: short stacking energy: -30.145 Base-Backbone interact. energy: -0.009 local terms energy: -30.045680 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -4.409 Dist. restrs. and SS energy: -28927.170 (S_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: 192 Temperature: 1.200000 Total energy: -29549.594770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29549.594770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.878622 (E_RNA) where: Base-Base interactions energy: -61.784 where: short stacking energy: -31.077 Base-Backbone interact. energy: -0.349 local terms energy: -32.745792 where: bonds (distance) C4'-P energy: -3.586 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -8.664 Dist. restrs. and SS energy: -29454.716 (S_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: 192 Temperature: 1.250000 Total energy: -29022.831494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29022.831494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.597069 (E_RNA) where: Base-Base interactions energy: -57.341 where: short stacking energy: -22.493 Base-Backbone interact. energy: -0.366 local terms energy: -22.890235 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: 4.671 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: -28942.234 (S_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: 192 Temperature: 1.300000 Total energy: -29303.573001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29303.573001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.086493 (E_RNA) where: Base-Base interactions energy: -65.928 where: short stacking energy: -19.119 Base-Backbone interact. energy: -0.014 local terms energy: -25.144612 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -0.082 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: -29212.487 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -29193.578611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29193.578611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.437929 (E_RNA) where: Base-Base interactions energy: -58.126 where: short stacking energy: -29.158 Base-Backbone interact. energy: -0.017 local terms energy: -26.294685 where: bonds (distance) C4'-P energy: -2.003 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: -29109.141 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -31479.169479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31479.169479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.585733 (E_RNA) where: Base-Base interactions energy: -66.107 where: short stacking energy: -23.218 Base-Backbone interact. energy: -0.004 local terms energy: -27.474854 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -0.316 tors. eta vs tors. theta energy: -7.837 Dist. restrs. and SS energy: -31385.584 (S_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: 193 Temperature: 0.950000 Total energy: -30680.796839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30680.796839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.697493 (E_RNA) where: Base-Base interactions energy: -64.441 where: short stacking energy: -23.569 Base-Backbone interact. energy: -0.002 local terms energy: -30.254554 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: -30586.099 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -29772.541689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29772.541689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.565950 (E_RNA) where: Base-Base interactions energy: -67.993 where: short stacking energy: -34.305 Base-Backbone interact. energy: -0.728 local terms energy: -34.845167 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -9.449 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -9.000 Dist. restrs. and SS energy: -29668.976 (S_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: 193 Temperature: 1.050000 Total energy: -29788.309595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29788.309595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.614964 (E_RNA) where: Base-Base interactions energy: -49.629 where: short stacking energy: -23.067 Base-Backbone interact. energy: -0.053 local terms energy: -34.932390 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: -29703.695 (S_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: 193 Temperature: 1.100000 Total energy: -29183.257878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29183.257878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.246978 (E_RNA) where: Base-Base interactions energy: -64.250 where: short stacking energy: -21.311 Base-Backbone interact. energy: -0.011 local terms energy: -25.985705 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: -29093.011 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -29664.698309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29664.698309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.158412 (E_RNA) where: Base-Base interactions energy: -67.661 where: short stacking energy: -25.837 Base-Backbone interact. energy: -0.002 local terms energy: -29.495913 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.144 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: -29567.540 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -29196.204718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29196.204718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.654635 (E_RNA) where: Base-Base interactions energy: -67.341 where: short stacking energy: -32.629 Base-Backbone interact. energy: -0.000 local terms energy: -34.313958 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -5.386 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -9.708 Dist. restrs. and SS energy: -29094.550 (S_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: 193 Temperature: 1.250000 Total energy: -29454.671092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29454.671092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.094396 (E_RNA) where: Base-Base interactions energy: -62.420 where: short stacking energy: -27.169 Base-Backbone interact. energy: 0.648 local terms energy: -21.321700 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -2.857 flat angles P-C4'-P energy: 0.465 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: -29371.577 (S_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: 193 Temperature: 1.300000 Total energy: -29588.082483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29588.082483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.919404 (E_RNA) where: Base-Base interactions energy: -60.357 where: short stacking energy: -23.941 Base-Backbone interact. energy: -0.044 local terms energy: -22.518569 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -5.523 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: -29505.163 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -29384.162393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29384.162393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.653518 (E_RNA) where: Base-Base interactions energy: -57.629 where: short stacking energy: -27.490 Base-Backbone interact. energy: -0.001 local terms energy: -19.023391 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: 0.399 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: -29307.509 (S_DIST_RNA) chem. 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: -31585.817530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31585.817530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.350245 (E_RNA) where: Base-Base interactions energy: -60.859 where: short stacking energy: -25.803 Base-Backbone interact. energy: -0.854 local terms energy: -37.637262 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: -31486.467 (S_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: 194 Temperature: 0.950000 Total energy: -30765.279688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30765.279688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.048594 (E_RNA) where: Base-Base interactions energy: -72.672 where: short stacking energy: -29.744 Base-Backbone interact. energy: -0.024 local terms energy: -30.353491 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -6.476 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: -30662.231 (S_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: 194 Temperature: 1.000000 Total energy: -29974.023954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29974.023954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.675497 (E_RNA) where: Base-Base interactions energy: -63.316 where: short stacking energy: -32.608 Base-Backbone interact. energy: -0.968 local terms energy: -37.391481 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -8.774 Dist. restrs. and SS energy: -29872.348 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -29887.480008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29887.480008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.510270 (E_RNA) where: Base-Base interactions energy: -64.196 where: short stacking energy: -32.350 Base-Backbone interact. energy: -0.000 local terms energy: -33.314202 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -8.809 Dist. restrs. and SS energy: -29789.970 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -29762.379166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29762.379166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.530862 (E_RNA) where: Base-Base interactions energy: -66.147 where: short stacking energy: -29.578 Base-Backbone interact. energy: -0.006 local terms energy: -31.377773 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -7.134 Dist. restrs. and SS energy: -29664.848 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -29349.527187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29349.527187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.892877 (E_RNA) where: Base-Base interactions energy: -65.657 where: short stacking energy: -32.355 Base-Backbone interact. energy: -0.634 local terms energy: -34.601953 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: -29248.634 (S_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: 194 Temperature: 1.200000 Total energy: -29607.043540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29607.043540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.164029 (E_RNA) where: Base-Base interactions energy: -61.467 where: short stacking energy: -27.664 Base-Backbone interact. energy: -0.001 local terms energy: -29.695211 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: -29515.880 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -29329.723109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29329.723109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.295089 (E_RNA) where: Base-Base interactions energy: -63.487 where: short stacking energy: -34.024 Base-Backbone interact. energy: -0.450 local terms energy: -30.357482 where: bonds (distance) C4'-P energy: -0.973 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -10.318 Dist. restrs. and SS energy: -29235.428 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -30109.870428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30109.870428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.710913 (E_RNA) where: Base-Base interactions energy: -56.386 where: short stacking energy: -23.837 Base-Backbone interact. energy: 1.407 local terms energy: -22.732204 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: -30032.160 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -29580.975614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29580.975614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.053104 (E_RNA) where: Base-Base interactions energy: -69.870 where: short stacking energy: -27.812 Base-Backbone interact. energy: -0.001 local terms energy: -22.182416 where: bonds (distance) C4'-P energy: -5.195 bonds (distance) P-C4' energy: -6.114 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -0.332 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: -29488.923 (S_DIST_RNA) chem. 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: -31669.678799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31669.678799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.843153 (E_RNA) where: Base-Base interactions energy: -65.526 where: short stacking energy: -25.969 Base-Backbone interact. energy: -0.873 local terms energy: -33.443285 where: bonds (distance) C4'-P energy: -5.708 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -8.524 Dist. restrs. and SS energy: -31569.836 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -30856.797052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30856.797052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.448645 (E_RNA) where: Base-Base interactions energy: -69.236 where: short stacking energy: -33.057 Base-Backbone interact. energy: -0.000 local terms energy: -35.212831 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: -30752.348 (S_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: 195 Temperature: 1.000000 Total energy: -30086.843617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30086.843617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.269151 (E_RNA) where: Base-Base interactions energy: -68.234 where: short stacking energy: -36.485 Base-Backbone interact. energy: -0.000 local terms energy: -36.034712 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -10.149 Dist. restrs. and SS energy: -29982.574 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -29998.432650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29998.432650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.161475 (E_RNA) where: Base-Base interactions energy: -61.703 where: short stacking energy: -29.543 Base-Backbone interact. energy: -0.002 local terms energy: -32.456379 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -7.554 Dist. restrs. and SS energy: -29904.271 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -29881.193643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29881.193643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.883078 (E_RNA) where: Base-Base interactions energy: -65.077 where: short stacking energy: -28.572 Base-Backbone interact. energy: -0.001 local terms energy: -29.804966 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -4.576 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: -29786.311 (S_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: 195 Temperature: 1.150000 Total energy: -29778.492247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29778.492247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.421155 (E_RNA) where: Base-Base interactions energy: -64.595 where: short stacking energy: -28.157 Base-Backbone interact. energy: -0.007 local terms energy: -27.819794 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: -29686.071 (S_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: 195 Temperature: 1.200000 Total energy: -29475.995714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29475.995714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.628510 (E_RNA) where: Base-Base interactions energy: -62.117 where: short stacking energy: -23.183 Base-Backbone interact. energy: -0.005 local terms energy: -26.506052 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -2.727 flat angles C4'-P-C4' energy: -9.034 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: -29387.367 (S_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: 195 Temperature: 1.250000 Total energy: -30280.476130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30280.476130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.810510 (E_RNA) where: Base-Base interactions energy: -65.116 where: short stacking energy: -24.204 Base-Backbone interact. energy: -0.005 local terms energy: -25.689829 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: 0.954 tors. eta vs tors. theta energy: -5.806 Dist. restrs. and SS energy: -30189.666 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -29485.026593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29485.026593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.284784 (E_RNA) where: Base-Base interactions energy: -61.138 where: short stacking energy: -28.260 Base-Backbone interact. energy: -0.867 local terms energy: -28.280120 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: -29394.742 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -29790.982930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29790.982930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.325163 (E_RNA) where: Base-Base interactions energy: -54.571 where: short stacking energy: -25.659 Base-Backbone interact. energy: -0.850 local terms energy: -27.903633 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: 0.257 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: -29707.658 (S_DIST_RNA) chem. 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: -31785.158031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31785.158031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.183115 (E_RNA) where: Base-Base interactions energy: -67.096 where: short stacking energy: -34.947 Base-Backbone interact. energy: -0.000 local terms energy: -38.086633 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -8.266 Dist. restrs. and SS energy: -31679.975 (S_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: 196 Temperature: 0.950000 Total energy: -30953.780723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30953.780723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.132091 (E_RNA) where: Base-Base interactions energy: -65.048 where: short stacking energy: -27.366 Base-Backbone interact. energy: -1.371 local terms energy: -34.713852 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: -30852.649 (S_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: 196 Temperature: 1.000000 Total energy: -30179.492576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30179.492576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.318635 (E_RNA) where: Base-Base interactions energy: -61.823 where: short stacking energy: -28.800 Base-Backbone interact. energy: -0.301 local terms energy: -33.194714 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.511 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: -30084.174 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -30110.924056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30110.924056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.988243 (E_RNA) where: Base-Base interactions energy: -65.589 where: short stacking energy: -30.466 Base-Backbone interact. energy: -0.002 local terms energy: -27.397150 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.174 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: -30017.936 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -29981.859135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29981.859135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.735372 (E_RNA) where: Base-Base interactions energy: -65.389 where: short stacking energy: -30.686 Base-Backbone interact. energy: -0.000 local terms energy: -31.346373 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: -29885.124 (S_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: 196 Temperature: 1.150000 Total energy: -29899.795319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29899.795319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.327202 (E_RNA) where: Base-Base interactions energy: -62.084 where: short stacking energy: -31.351 Base-Backbone interact. energy: -0.763 local terms energy: -38.480756 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -8.314 Dist. restrs. and SS energy: -29798.468 (S_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: 196 Temperature: 1.200000 Total energy: -30406.576101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30406.576101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.837653 (E_RNA) where: Base-Base interactions energy: -59.546 where: short stacking energy: -25.889 Base-Backbone interact. energy: -0.000 local terms energy: -29.291893 where: bonds (distance) C4'-P energy: -5.418 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: -30317.738 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -29675.922315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29675.922315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.047253 (E_RNA) where: Base-Base interactions energy: -49.090 where: short stacking energy: -16.245 Base-Backbone interact. energy: -0.075 local terms energy: -23.881856 where: bonds (distance) C4'-P energy: -5.212 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: -29602.875 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -29968.793043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29968.793043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.217080 (E_RNA) where: Base-Base interactions energy: -60.493 where: short stacking energy: -23.998 Base-Backbone interact. energy: -0.361 local terms energy: -25.363386 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.185 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: -29882.576 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -29668.812129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29668.812129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.351602 (E_RNA) where: Base-Base interactions energy: -61.321 where: short stacking energy: -25.130 Base-Backbone interact. energy: 0.029 local terms energy: -27.059632 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: -29580.461 (S_DIST_RNA) chem. 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: -31886.930158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31886.930158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.820561 (E_RNA) where: Base-Base interactions energy: -69.216 where: short stacking energy: -22.185 Base-Backbone interact. energy: -0.001 local terms energy: -28.603481 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -1.740 tors. eta vs tors. theta energy: -6.384 Dist. restrs. and SS energy: -31789.110 (S_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: 197 Temperature: 0.950000 Total energy: -31024.158588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31024.158588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.421395 (E_RNA) where: Base-Base interactions energy: -72.594 where: short stacking energy: -23.329 Base-Backbone interact. energy: -0.027 local terms energy: -26.800325 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: -30924.737 (S_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: 197 Temperature: 1.000000 Total energy: -30286.146276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30286.146276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.305122 (E_RNA) where: Base-Base interactions energy: -67.374 where: short stacking energy: -32.595 Base-Backbone interact. energy: -0.983 local terms energy: -36.947551 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -8.489 Dist. restrs. and SS energy: -30180.841 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -30226.593998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30226.593998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.503649 (E_RNA) where: Base-Base interactions energy: -66.182 where: short stacking energy: -29.281 Base-Backbone interact. energy: -0.790 local terms energy: -33.531456 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -8.085 Dist. restrs. and SS energy: -30126.090 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -30098.528708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30098.528708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.285165 (E_RNA) where: Base-Base interactions energy: -61.162 where: short stacking energy: -30.926 Base-Backbone interact. energy: -0.001 local terms energy: -30.122100 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -8.105 Dist. restrs. and SS energy: -30007.244 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -30544.459659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30544.459659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.136833 (E_RNA) where: Base-Base interactions energy: -60.608 where: short stacking energy: -26.517 Base-Backbone interact. energy: -0.001 local terms energy: -28.527486 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.606 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -0.720 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: -30455.323 (S_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: 197 Temperature: 1.200000 Total energy: -30036.263409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30036.263409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.354699 (E_RNA) where: Base-Base interactions energy: -60.650 where: short stacking energy: -21.450 Base-Backbone interact. energy: -0.012 local terms energy: -22.692475 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: -29952.909 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -30145.248751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30145.248751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.640814 (E_RNA) where: Base-Base interactions energy: -54.096 where: short stacking energy: -22.245 Base-Backbone interact. energy: -0.091 local terms energy: -26.453579 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: -30064.608 (S_DIST_RNA) chem. 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: -29852.032864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29852.032864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.359673 (E_RNA) where: Base-Base interactions energy: -58.766 where: short stacking energy: -21.737 Base-Backbone interact. energy: -0.031 local terms energy: -27.562164 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: -29765.673 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -29859.135964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29859.135964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.529015 (E_RNA) where: Base-Base interactions energy: -58.300 where: short stacking energy: -16.466 Base-Backbone interact. energy: -0.015 local terms energy: -26.213645 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: -29774.607 (S_DIST_RNA) chem. 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: -31967.108783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31967.108783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.035728 (E_RNA) where: Base-Base interactions energy: -65.327 where: short stacking energy: -23.045 Base-Backbone interact. energy: -0.197 local terms energy: -34.511513 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: -31867.073 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -31125.858628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31125.858628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.549277 (E_RNA) where: Base-Base interactions energy: -68.015 where: short stacking energy: -24.662 Base-Backbone interact. energy: -0.002 local terms energy: -32.532324 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -5.885 Dist. restrs. and SS energy: -31025.309 (S_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: 198 Temperature: 1.000000 Total energy: -30412.037213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30412.037213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.677856 (E_RNA) where: Base-Base interactions energy: -64.801 where: short stacking energy: -34.364 Base-Backbone interact. energy: -0.002 local terms energy: -34.875050 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -9.748 Dist. restrs. and SS energy: -30312.359 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -30323.394726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30323.394726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.435337 (E_RNA) where: Base-Base interactions energy: -67.221 where: short stacking energy: -33.405 Base-Backbone interact. energy: -0.001 local terms energy: -32.214085 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -9.084 Dist. restrs. and SS energy: -30223.959 (S_DIST_RNA) chem. 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: -30655.568217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30655.568217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.315114 (E_RNA) where: Base-Base interactions energy: -60.233 where: short stacking energy: -20.814 Base-Backbone interact. energy: -0.016 local terms energy: -28.066347 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -5.406 Dist. restrs. and SS energy: -30567.253 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -30247.582887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30247.582887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.338899 (E_RNA) where: Base-Base interactions energy: -67.328 where: short stacking energy: -31.790 Base-Backbone interact. energy: -0.000 local terms energy: -34.010406 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -9.276 Dist. restrs. and SS energy: -30146.244 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -30523.168220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30523.168220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.483278 (E_RNA) where: Base-Base interactions energy: -63.945 where: short stacking energy: -21.995 Base-Backbone interact. energy: -0.086 local terms energy: -29.452613 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: -30429.685 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -30180.552152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30180.552152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.819875 (E_RNA) where: Base-Base interactions energy: -64.543 where: short stacking energy: -24.963 Base-Backbone interact. energy: -0.874 local terms energy: -34.403325 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: -30080.732 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -30041.963404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30041.963404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.797224 (E_RNA) where: Base-Base interactions energy: -63.259 where: short stacking energy: -22.314 Base-Backbone interact. energy: -0.094 local terms energy: -25.444261 where: bonds (distance) C4'-P energy: -5.031 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -1.417 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: -29953.166 (S_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: 198 Temperature: 1.350000 Total energy: -30036.907500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30036.907500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.567150 (E_RNA) where: Base-Base interactions energy: -59.781 where: short stacking energy: -28.828 Base-Backbone interact. energy: -0.001 local terms energy: -35.785874 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -6.930 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: -29941.340 (S_DIST_RNA) chem. 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: -32052.211040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32052.211040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.482647 (E_RNA) where: Base-Base interactions energy: -65.372 where: short stacking energy: -29.249 Base-Backbone interact. energy: -0.026 local terms energy: -33.083951 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: -31953.728 (S_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: 199 Temperature: 0.950000 Total energy: -31217.274866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31217.274866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.759724 (E_RNA) where: Base-Base interactions energy: -64.586 where: short stacking energy: -32.226 Base-Backbone interact. energy: -1.295 local terms energy: -37.879265 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -7.881 Dist. restrs. and SS energy: -31113.515 (S_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: 199 Temperature: 1.000000 Total energy: -30548.804004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30548.804004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.603614 (E_RNA) where: Base-Base interactions energy: -68.580 where: short stacking energy: -34.787 Base-Backbone interact. energy: -0.000 local terms energy: -34.023412 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -8.945 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -8.094 Dist. restrs. and SS energy: -30446.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -30798.381239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30798.381239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.076124 (E_RNA) where: Base-Base interactions energy: -62.169 where: short stacking energy: -21.743 Base-Backbone interact. energy: -0.009 local terms energy: -25.897484 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: -30710.305 (S_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: 199 Temperature: 1.100000 Total energy: -30446.034514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30446.034514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.521995 (E_RNA) where: Base-Base interactions energy: -67.574 where: short stacking energy: -30.951 Base-Backbone interact. energy: -0.066 local terms energy: -29.882401 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -5.779 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: -30348.513 (S_DIST_RNA) chem. 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: -30921.875390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30921.875390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.454297 (E_RNA) where: Base-Base interactions energy: -54.337 where: short stacking energy: -21.951 Base-Backbone interact. energy: -0.023 local terms energy: -26.094427 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: -30841.421 (S_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: 199 Temperature: 1.200000 Total energy: -30363.019971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30363.019971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.372436 (E_RNA) where: Base-Base interactions energy: -62.913 where: short stacking energy: -23.438 Base-Backbone interact. energy: -0.001 local terms energy: -24.458799 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: -30275.648 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -30335.096277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30335.096277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.727236 (E_RNA) where: Base-Base interactions energy: -69.724 where: short stacking energy: -28.744 Base-Backbone interact. energy: -0.006 local terms energy: -19.997922 where: bonds (distance) C4'-P energy: -2.126 bonds (distance) P-C4' energy: -5.558 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: -30245.369 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -30212.556894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30212.556894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.597586 (E_RNA) where: Base-Base interactions energy: -63.337 where: short stacking energy: -29.930 Base-Backbone interact. energy: -0.388 local terms energy: -28.873478 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: -30119.959 (S_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: 199 Temperature: 1.350000 Total energy: -30218.566344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30218.566344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.540541 (E_RNA) where: Base-Base interactions energy: -65.594 where: short stacking energy: -32.628 Base-Backbone interact. energy: -0.000 local terms energy: -30.945677 where: bonds (distance) C4'-P energy: -2.687 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: -30122.026 (S_DIST_RNA) chem. 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: -32141.288213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32141.288213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.359044 (E_RNA) where: Base-Base interactions energy: -65.788 where: short stacking energy: -26.874 Base-Backbone interact. energy: -0.000 local terms energy: -37.570695 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -8.322 Dist. restrs. and SS energy: -32037.929 (S_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: 200 Temperature: 0.950000 Total energy: -31314.601050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31314.601050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.525490 (E_RNA) where: Base-Base interactions energy: -69.361 where: short stacking energy: -28.766 Base-Backbone interact. energy: -0.003 local terms energy: -35.161672 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: -31210.076 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -30919.436101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30919.436101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.933471 (E_RNA) where: Base-Base interactions energy: -62.161 where: short stacking energy: -30.853 Base-Backbone interact. energy: -0.877 local terms energy: -22.896157 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -4.551 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: -30833.503 (S_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: 200 Temperature: 1.050000 Total energy: -30649.459697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30649.459697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.267575 (E_RNA) where: Base-Base interactions energy: -66.507 where: short stacking energy: -27.223 Base-Backbone interact. energy: -0.008 local terms energy: -30.751815 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: -30552.192 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -31396.357084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31396.357084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.037534 (E_RNA) where: Base-Base interactions energy: -61.241 where: short stacking energy: -25.125 Base-Backbone interact. energy: -0.030 local terms energy: -27.766517 where: bonds (distance) C4'-P energy: -5.407 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: -31307.320 (S_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: 200 Temperature: 1.150000 Total energy: -30569.398418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30569.398418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.018251 (E_RNA) where: Base-Base interactions energy: -63.932 where: short stacking energy: -31.722 Base-Backbone interact. energy: -0.238 local terms energy: -31.847728 where: bonds (distance) C4'-P energy: -3.519 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -9.330 Dist. restrs. and SS energy: -30473.380 (S_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: 200 Temperature: 1.200000 Total energy: -30501.909933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30501.909933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.424717 (E_RNA) where: Base-Base interactions energy: -55.537 where: short stacking energy: -28.276 Base-Backbone interact. energy: -0.999 local terms energy: -30.888739 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: -30414.485 (S_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: 200 Temperature: 1.250000 Total energy: -30461.797421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30461.797421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.778039 (E_RNA) where: Base-Base interactions energy: -64.674 where: short stacking energy: -34.744 Base-Backbone interact. energy: -0.676 local terms energy: -29.428032 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: -30367.019 (S_DIST_RNA) chem. 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: -30408.885550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30408.885550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.860375 (E_RNA) where: Base-Base interactions energy: -66.539 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.001 local terms energy: -22.319914 where: bonds (distance) C4'-P energy: -2.702 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -1.769 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: -30320.025 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -30438.992803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30438.992803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.052738 (E_RNA) where: Base-Base interactions energy: -60.563 where: short stacking energy: -25.664 Base-Backbone interact. energy: 0.433 local terms energy: -20.922955 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -1.238 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: -30357.940 (S_DIST_RNA) chem. 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: -32231.790034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32231.790034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.161372 (E_RNA) where: Base-Base interactions energy: -62.923 where: short stacking energy: -30.286 Base-Backbone interact. energy: -0.001 local terms energy: -38.237396 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: -32130.629 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -31419.413815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31419.413815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.772660 (E_RNA) where: Base-Base interactions energy: -64.390 where: short stacking energy: -26.094 Base-Backbone interact. energy: -0.002 local terms energy: -33.380617 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -1.826 tors. eta vs tors. theta energy: -8.794 Dist. restrs. and SS energy: -31321.641 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -31043.240532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31043.240532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.577680 (E_RNA) where: Base-Base interactions energy: -73.844 where: short stacking energy: -25.521 Base-Backbone interact. energy: -0.018 local terms energy: -27.716024 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -9.245 Dist. restrs. and SS energy: -30941.663 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -31928.202265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31928.202265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.190307 (E_RNA) where: Base-Base interactions energy: -61.269 where: short stacking energy: -20.545 Base-Backbone interact. energy: -0.127 local terms energy: -22.793579 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -5.226 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: -31844.012 (S_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: 201 Temperature: 1.100000 Total energy: -30797.159776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30797.159776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.637514 (E_RNA) where: Base-Base interactions energy: -66.964 where: short stacking energy: -32.787 Base-Backbone interact. energy: -0.164 local terms energy: -38.510019 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: -30691.522 (S_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: 201 Temperature: 1.150000 Total energy: -30707.903670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30707.903670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.331341 (E_RNA) where: Base-Base interactions energy: -64.004 where: short stacking energy: -21.101 Base-Backbone interact. energy: -0.001 local terms energy: -29.326307 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: -30614.572 (S_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: 201 Temperature: 1.200000 Total energy: -30661.064703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30661.064703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.001844 (E_RNA) where: Base-Base interactions energy: -58.681 where: short stacking energy: -26.422 Base-Backbone interact. energy: -0.331 local terms energy: -31.990372 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: -30570.063 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -30582.487658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30582.487658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.866715 (E_RNA) where: Base-Base interactions energy: -64.485 where: short stacking energy: -21.814 Base-Backbone interact. energy: -0.001 local terms energy: -22.380903 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: -30495.621 (S_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: 201 Temperature: 1.300000 Total energy: -30569.093499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30569.093499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.252625 (E_RNA) where: Base-Base interactions energy: -61.183 where: short stacking energy: -19.730 Base-Backbone interact. energy: -0.020 local terms energy: -21.050372 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: -30486.841 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -30628.947765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30628.947765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.656777 (E_RNA) where: Base-Base interactions energy: -55.509 where: short stacking energy: -18.956 Base-Backbone interact. energy: -0.002 local terms energy: -24.145972 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -4.143 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: -30549.291 (S_DIST_RNA) chem. 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: -32319.508290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32319.508290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.897207 (E_RNA) where: Base-Base interactions energy: -77.662 where: short stacking energy: -29.735 Base-Backbone interact. energy: -0.009 local terms energy: -24.226843 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -1.666 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: -32217.611 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -31494.602569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31494.602569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.404041 (E_RNA) where: Base-Base interactions energy: -73.203 where: short stacking energy: -24.468 Base-Backbone interact. energy: 0.085 local terms energy: -27.286072 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -1.144 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: -31394.199 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -32526.645201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32526.645201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.921320 (E_RNA) where: Base-Base interactions energy: -55.376 where: short stacking energy: -19.543 Base-Backbone interact. energy: -0.416 local terms energy: -31.128748 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: -32439.724 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -31145.647527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31145.647527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.693638 (E_RNA) where: Base-Base interactions energy: -60.342 where: short stacking energy: -23.344 Base-Backbone interact. energy: -0.909 local terms energy: -28.442493 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -1.946 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: -31055.954 (S_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: 202 Temperature: 1.100000 Total energy: -30904.898073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30904.898073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.282243 (E_RNA) where: Base-Base interactions energy: -70.394 where: short stacking energy: -24.345 Base-Backbone interact. energy: -0.006 local terms energy: -25.882324 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -4.845 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: -30808.616 (S_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: 202 Temperature: 1.150000 Total energy: -30860.789303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30860.789303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.261089 (E_RNA) where: Base-Base interactions energy: -70.353 where: short stacking energy: -27.313 Base-Backbone interact. energy: -0.042 local terms energy: -23.866294 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.598 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: 2.742 tors. eta vs tors. theta energy: -7.058 Dist. restrs. and SS energy: -30766.528 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -30746.182249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30746.182249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.456432 (E_RNA) where: Base-Base interactions energy: -69.087 where: short stacking energy: -34.527 Base-Backbone interact. energy: -1.186 local terms energy: -31.183188 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: -30644.726 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -30835.866275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30835.866275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.481828 (E_RNA) where: Base-Base interactions energy: -55.417 where: short stacking energy: -17.977 Base-Backbone interact. energy: -0.004 local terms energy: -25.061389 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.527 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: -30755.384 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -30802.526940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30802.526940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.780007 (E_RNA) where: Base-Base interactions energy: -66.299 where: short stacking energy: -27.848 Base-Backbone interact. energy: -0.003 local terms energy: -33.478205 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: -30702.747 (S_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: 202 Temperature: 1.350000 Total energy: -30752.080029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30752.080029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.840993 (E_RNA) where: Base-Base interactions energy: -63.079 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.002 local terms energy: -32.760650 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -5.890 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: -30656.239 (S_DIST_RNA) chem. 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: -32413.837244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32413.837244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.943095 (E_RNA) where: Base-Base interactions energy: -64.791 where: short stacking energy: -28.756 Base-Backbone interact. energy: -0.006 local terms energy: -32.146352 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: -32316.894 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -33080.211462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33080.211462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.116127 (E_RNA) where: Base-Base interactions energy: -61.681 where: short stacking energy: -17.124 Base-Backbone interact. energy: -0.095 local terms energy: -32.340206 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: -32986.095 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -31593.824090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31593.824090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.282208 (E_RNA) where: Base-Base interactions energy: -74.732 where: short stacking energy: -24.531 Base-Backbone interact. energy: 1.319 local terms energy: -27.868670 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: -31492.542 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -31261.620808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31261.620808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.632516 (E_RNA) where: Base-Base interactions energy: -64.693 where: short stacking energy: -27.381 Base-Backbone interact. energy: -0.238 local terms energy: -32.701274 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -1.437 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: -31163.988 (S_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: 203 Temperature: 1.100000 Total energy: -31041.950836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31041.950836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.926223 (E_RNA) where: Base-Base interactions energy: -64.838 where: short stacking energy: -30.356 Base-Backbone interact. energy: -0.000 local terms energy: -34.087884 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -9.204 Dist. restrs. and SS energy: -30943.025 (S_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: 203 Temperature: 1.150000 Total energy: -30970.832681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30970.832681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.109553 (E_RNA) where: Base-Base interactions energy: -58.609 where: short stacking energy: -27.243 Base-Backbone interact. energy: -0.000 local terms energy: -32.500614 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -5.202 Dist. restrs. and SS energy: -30879.723 (S_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: 203 Temperature: 1.200000 Total energy: -30876.132323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30876.132323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.980437 (E_RNA) where: Base-Base interactions energy: -57.073 where: short stacking energy: -26.063 Base-Backbone interact. energy: -1.299 local terms energy: -31.608953 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: -30786.152 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -30978.807801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30978.807801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.420818 (E_RNA) where: Base-Base interactions energy: -55.449 where: short stacking energy: -26.371 Base-Backbone interact. energy: -0.000 local terms energy: -25.971099 where: bonds (distance) C4'-P energy: -3.082 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: -30897.387 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -30964.259692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30964.259692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.931022 (E_RNA) where: Base-Base interactions energy: -58.570 where: short stacking energy: -32.070 Base-Backbone interact. energy: -0.213 local terms energy: -27.148009 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -6.636 Dist. restrs. and SS energy: -30878.329 (S_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: 203 Temperature: 1.350000 Total energy: -30913.704579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30913.704579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.599356 (E_RNA) where: Base-Base interactions energy: -60.391 where: short stacking energy: -23.831 Base-Backbone interact. energy: -0.001 local terms energy: -23.206625 where: bonds (distance) C4'-P energy: -3.662 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: -30830.105 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -33239.508054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33239.508054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.210596 (E_RNA) where: Base-Base interactions energy: -66.608 where: short stacking energy: -25.448 Base-Backbone interact. energy: -0.085 local terms energy: -32.517825 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: -33140.297 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -32510.918427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32510.918427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.597341 (E_RNA) where: Base-Base interactions energy: -61.103 where: short stacking energy: -28.029 Base-Backbone interact. energy: -0.002 local terms energy: -36.491677 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -9.052 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: -32413.321 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -31700.102561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31700.102561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.131709 (E_RNA) where: Base-Base interactions energy: -73.333 where: short stacking energy: -19.111 Base-Backbone interact. energy: -0.004 local terms energy: -25.794510 where: bonds (distance) C4'-P energy: -6.671 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: -31600.971 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -31369.386187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31369.386187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.235092 (E_RNA) where: Base-Base interactions energy: -66.511 where: short stacking energy: -31.286 Base-Backbone interact. energy: -0.086 local terms energy: -31.637265 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: -31271.151 (S_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: 204 Temperature: 1.100000 Total energy: -31104.442835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31104.442835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.746029 (E_RNA) where: Base-Base interactions energy: -65.006 where: short stacking energy: -25.291 Base-Backbone interact. energy: -0.009 local terms energy: -31.731549 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: -31007.697 (S_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: 204 Temperature: 1.150000 Total energy: -31185.979657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31185.979657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.811096 (E_RNA) where: Base-Base interactions energy: -60.689 where: short stacking energy: -24.991 Base-Backbone interact. energy: -0.110 local terms energy: -34.011925 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: -31091.169 (S_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: 204 Temperature: 1.200000 Total energy: -31128.075576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31128.075576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.954701 (E_RNA) where: Base-Base interactions energy: -60.788 where: short stacking energy: -28.507 Base-Backbone interact. energy: -0.361 local terms energy: -25.805915 where: bonds (distance) C4'-P energy: -2.086 bonds (distance) P-C4' energy: -6.984 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: -31041.121 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -31004.876819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31004.876819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.316909 (E_RNA) where: Base-Base interactions energy: -60.291 where: short stacking energy: -22.877 Base-Backbone interact. energy: 5.949 local terms energy: -30.974946 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: -30919.560 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -31099.699176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31099.699176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.995733 (E_RNA) where: Base-Base interactions energy: -63.458 where: short stacking energy: -18.625 Base-Backbone interact. energy: -0.003 local terms energy: -27.534323 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: -31008.703 (S_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: 204 Temperature: 1.350000 Total energy: -31099.030953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31099.030953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.935051 (E_RNA) where: Base-Base interactions energy: -56.831 where: short stacking energy: -27.660 Base-Backbone interact. energy: -0.003 local terms energy: -29.101954 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.987 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: -31013.096 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -33325.306639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33325.306639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.196797 (E_RNA) where: Base-Base interactions energy: -69.248 where: short stacking energy: -28.013 Base-Backbone interact. energy: 0.481 local terms energy: -29.429367 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: -33227.110 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -32613.116118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32613.116118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.065677 (E_RNA) where: Base-Base interactions energy: -67.445 where: short stacking energy: -32.104 Base-Backbone interact. energy: -0.001 local terms energy: -32.619731 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -6.607 Dist. restrs. and SS energy: -32513.050 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -31805.601570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31805.601570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.932247 (E_RNA) where: Base-Base interactions energy: -64.079 where: short stacking energy: -28.587 Base-Backbone interact. energy: 1.599 local terms energy: -35.451428 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: -31707.669 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -31500.016875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31500.016875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.034809 (E_RNA) where: Base-Base interactions energy: -60.276 where: short stacking energy: -20.544 Base-Backbone interact. energy: -0.020 local terms energy: -28.739095 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: -31410.982 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -31221.033759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31221.033759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.803457 (E_RNA) where: Base-Base interactions energy: -68.606 where: short stacking energy: -25.378 Base-Backbone interact. energy: -0.002 local terms energy: -26.195319 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: -31126.230 (S_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: 205 Temperature: 1.150000 Total energy: -31313.886964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31313.886964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.401496 (E_RNA) where: Base-Base interactions energy: -63.056 where: short stacking energy: -27.568 Base-Backbone interact. energy: -0.001 local terms energy: -28.344677 where: bonds (distance) C4'-P energy: -5.051 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: -31222.485 (S_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: 205 Temperature: 1.200000 Total energy: -31256.071786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31256.071786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.689425 (E_RNA) where: Base-Base interactions energy: -60.252 where: short stacking energy: -26.978 Base-Backbone interact. energy: -0.092 local terms energy: -26.345468 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -3.776 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: -31169.382 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -31259.605292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31259.605292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.041378 (E_RNA) where: Base-Base interactions energy: -51.177 where: short stacking energy: -17.795 Base-Backbone interact. energy: -0.012 local terms energy: -22.852162 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -0.506 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: -31185.564 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -31155.265439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31155.265439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.977054 (E_RNA) where: Base-Base interactions energy: -62.418 where: short stacking energy: -24.773 Base-Backbone interact. energy: -0.182 local terms energy: -28.377283 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -5.074 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: -31064.288 (S_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: 205 Temperature: 1.350000 Total energy: -31279.067499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31279.067499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.703368 (E_RNA) where: Base-Base interactions energy: -61.143 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.001 local terms energy: -22.559505 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.809 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: 3.922 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: -31195.364 (S_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: 206 Temperature: 0.900000 Total energy: -33413.363000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33413.363000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.926012 (E_RNA) where: Base-Base interactions energy: -71.121 where: short stacking energy: -34.430 Base-Backbone interact. energy: -0.852 local terms energy: -34.953051 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -9.677 Dist. restrs. and SS energy: -33306.437 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -32711.428552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32711.428552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.235776 (E_RNA) where: Base-Base interactions energy: -66.064 where: short stacking energy: -32.941 Base-Backbone interact. energy: -0.000 local terms energy: -31.171442 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -7.163 Dist. restrs. and SS energy: -32614.193 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -31934.146166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31934.146166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.841392 (E_RNA) where: Base-Base interactions energy: -64.235 where: short stacking energy: -26.787 Base-Backbone interact. energy: -0.080 local terms energy: -32.526233 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: -31837.305 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -31618.819078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31618.819078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.340372 (E_RNA) where: Base-Base interactions energy: -62.205 where: short stacking energy: -20.962 Base-Backbone interact. energy: -0.011 local terms energy: -18.124719 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -5.457 flat angles C4'-P-C4' energy: -1.970 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: -31538.479 (S_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: 206 Temperature: 1.100000 Total energy: -31431.132444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31431.132444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.367647 (E_RNA) where: Base-Base interactions energy: -61.818 where: short stacking energy: -30.033 Base-Backbone interact. energy: -0.086 local terms energy: -32.463375 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -3.951 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: -31336.765 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -31347.474486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31347.474486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.581390 (E_RNA) where: Base-Base interactions energy: -51.009 where: short stacking energy: -18.374 Base-Backbone interact. energy: -0.998 local terms energy: -28.574907 where: bonds (distance) C4'-P energy: -7.161 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: -31266.893 (S_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: 206 Temperature: 1.200000 Total energy: -31433.471732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31433.471732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.166940 (E_RNA) where: Base-Base interactions energy: -66.082 where: short stacking energy: -31.201 Base-Backbone interact. energy: -0.001 local terms energy: -26.083954 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -0.537 tors. eta vs tors. theta energy: -7.981 Dist. restrs. and SS energy: -31341.305 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -31437.654094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31437.654094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.680483 (E_RNA) where: Base-Base interactions energy: -58.468 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.002 local terms energy: -33.210982 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: -31345.974 (S_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: 206 Temperature: 1.300000 Total energy: -31462.958273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31462.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.269405 (E_RNA) where: Base-Base interactions energy: -66.490 where: short stacking energy: -22.008 Base-Backbone interact. energy: -0.003 local terms energy: -25.776624 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: 0.182 tors. eta vs tors. theta energy: -5.187 Dist. restrs. and SS energy: -31370.689 (S_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: 206 Temperature: 1.350000 Total energy: -31413.070779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31413.070779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.836943 (E_RNA) where: Base-Base interactions energy: -59.524 where: short stacking energy: -20.309 Base-Backbone interact. energy: -1.024 local terms energy: -25.288311 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -0.225 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: -31327.234 (S_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: 207 Temperature: 0.900000 Total energy: -33513.437618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33513.437618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.670718 (E_RNA) where: Base-Base interactions energy: -70.996 where: short stacking energy: -23.150 Base-Backbone interact. energy: -0.050 local terms energy: -32.624538 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: -33409.767 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -32812.007141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32812.007141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.380276 (E_RNA) where: Base-Base interactions energy: -62.885 where: short stacking energy: -32.669 Base-Backbone interact. energy: -0.000 local terms energy: -33.494764 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: -32715.627 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -32050.263360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32050.263360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.225310 (E_RNA) where: Base-Base interactions energy: -68.282 where: short stacking energy: -28.091 Base-Backbone interact. energy: -0.023 local terms energy: -30.920329 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -6.362 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: -31951.038 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -31743.531750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31743.531750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.060742 (E_RNA) where: Base-Base interactions energy: -64.415 where: short stacking energy: -31.660 Base-Backbone interact. energy: -0.001 local terms energy: -39.645076 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -9.908 Dist. restrs. and SS energy: -31639.471 (S_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: 207 Temperature: 1.100000 Total energy: -31578.052191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31578.052191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.949586 (E_RNA) where: Base-Base interactions energy: -58.036 where: short stacking energy: -24.563 Base-Backbone interact. energy: -0.010 local terms energy: -26.903818 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: 0.624 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: -31493.103 (S_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: 207 Temperature: 1.150000 Total energy: -31601.419095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31601.419095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.797826 (E_RNA) where: Base-Base interactions energy: -61.459 where: short stacking energy: -28.872 Base-Backbone interact. energy: -0.001 local terms energy: -35.338220 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -8.201 Dist. restrs. and SS energy: -31504.621 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -31491.235823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31491.235823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.262644 (E_RNA) where: Base-Base interactions energy: -52.640 where: short stacking energy: -29.157 Base-Backbone interact. energy: -0.000 local terms energy: -34.622922 where: bonds (distance) C4'-P energy: -4.947 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: -31403.973 (S_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: 207 Temperature: 1.250000 Total energy: -31613.561246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31613.561246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.941347 (E_RNA) where: Base-Base interactions energy: -53.620 where: short stacking energy: -20.597 Base-Backbone interact. energy: -0.143 local terms energy: -28.178298 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: -31531.620 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -31608.749968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31608.749968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.201277 (E_RNA) where: Base-Base interactions energy: -57.211 where: short stacking energy: -24.651 Base-Backbone interact. energy: -0.190 local terms energy: -32.799636 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -7.158 Dist. restrs. and SS energy: -31518.549 (S_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: 207 Temperature: 1.350000 Total energy: -31581.503906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31581.503906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.612380 (E_RNA) where: Base-Base interactions energy: -62.908 where: short stacking energy: -27.100 Base-Backbone interact. energy: -0.212 local terms energy: -30.493163 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -4.898 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: -31487.892 (S_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: 208 Temperature: 0.900000 Total energy: -33588.127276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33588.127276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.535055 (E_RNA) where: Base-Base interactions energy: -74.202 where: short stacking energy: -26.121 Base-Backbone interact. energy: 0.473 local terms energy: -32.805652 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: -33481.592 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -32939.997294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32939.997294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.299623 (E_RNA) where: Base-Base interactions energy: -69.911 where: short stacking energy: -33.656 Base-Backbone interact. energy: -0.000 local terms energy: -35.387949 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -8.950 Dist. restrs. and SS energy: -32834.698 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -32132.986631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32132.986631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.400004 (E_RNA) where: Base-Base interactions energy: -48.435 where: short stacking energy: -19.878 Base-Backbone interact. energy: -0.084 local terms energy: -31.881488 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: -32052.587 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -31849.408333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31849.408333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.362719 (E_RNA) where: Base-Base interactions energy: -63.823 where: short stacking energy: -29.367 Base-Backbone interact. energy: -1.499 local terms energy: -30.041021 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: -31754.046 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -31722.319674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31722.319674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.228147 (E_RNA) where: Base-Base interactions energy: -59.101 where: short stacking energy: -24.951 Base-Backbone interact. energy: -0.057 local terms energy: -27.070609 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -1.944 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: -31636.092 (S_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: 208 Temperature: 1.150000 Total energy: -31704.824571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31704.824571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.713741 (E_RNA) where: Base-Base interactions energy: -62.880 where: short stacking energy: -24.647 Base-Backbone interact. energy: -0.004 local terms energy: -27.829587 where: bonds (distance) C4'-P energy: -2.119 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -8.034 Dist. restrs. and SS energy: -31614.111 (S_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: 208 Temperature: 1.200000 Total energy: -31772.818734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31772.818734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.969728 (E_RNA) where: Base-Base interactions energy: -64.288 where: short stacking energy: -20.224 Base-Backbone interact. energy: -0.006 local terms energy: -27.676188 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: -31680.849 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -31652.284543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31652.284543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.974743 (E_RNA) where: Base-Base interactions energy: -69.434 where: short stacking energy: -31.110 Base-Backbone interact. energy: -0.000 local terms energy: -28.540066 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.082 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: -31554.310 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -31765.189008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31765.189008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.379681 (E_RNA) where: Base-Base interactions energy: -64.922 where: short stacking energy: -24.849 Base-Backbone interact. energy: -0.009 local terms energy: -23.449006 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: 0.113 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: -31676.809 (S_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: 208 Temperature: 1.350000 Total energy: -31761.579543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31761.579543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.155985 (E_RNA) where: Base-Base interactions energy: -60.890 where: short stacking energy: -29.017 Base-Backbone interact. energy: -0.226 local terms energy: -26.039660 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -6.688 Dist. restrs. and SS energy: -31674.424 (S_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: 209 Temperature: 0.900000 Total energy: -33642.985958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33642.985958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.847481 (E_RNA) where: Base-Base interactions energy: -74.574 where: short stacking energy: -24.841 Base-Backbone interact. energy: -0.043 local terms energy: -31.230625 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: -33537.138 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -33061.226475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33061.226475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.297382 (E_RNA) where: Base-Base interactions energy: -67.403 where: short stacking energy: -34.251 Base-Backbone interact. energy: -0.000 local terms energy: -29.894035 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.150 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -0.233 tors. eta vs tors. theta energy: -7.319 Dist. restrs. and SS energy: -32963.929 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -32264.647219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32264.647219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.461680 (E_RNA) where: Base-Base interactions energy: -68.534 where: short stacking energy: -28.030 Base-Backbone interact. energy: -0.061 local terms energy: -26.866968 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -3.912 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: -32169.186 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -31977.879397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31977.879397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.407639 (E_RNA) where: Base-Base interactions energy: -63.669 where: short stacking energy: -32.577 Base-Backbone interact. energy: -0.956 local terms energy: -31.782596 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -4.241 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -9.341 Dist. restrs. and SS energy: -31881.472 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -31871.734128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31871.734128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.193716 (E_RNA) where: Base-Base interactions energy: -66.445 where: short stacking energy: -27.191 Base-Backbone interact. energy: -0.911 local terms energy: -33.837730 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: -31770.540 (S_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: 209 Temperature: 1.150000 Total energy: -31940.474294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31940.474294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.483052 (E_RNA) where: Base-Base interactions energy: -66.244 where: short stacking energy: -27.965 Base-Backbone interact. energy: -0.000 local terms energy: -34.238875 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: -31839.991 (S_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: 209 Temperature: 1.200000 Total energy: -31848.015555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31848.015555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.904553 (E_RNA) where: Base-Base interactions energy: -60.322 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.771 local terms energy: -32.810890 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: -31754.111 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -31969.907146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31969.907146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.320364 (E_RNA) where: Base-Base interactions energy: -60.000 where: short stacking energy: -25.000 Base-Backbone interact. energy: -0.031 local terms energy: -24.289764 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -3.199 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: -31885.587 (S_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: 209 Temperature: 1.300000 Total energy: -31823.610796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31823.610796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.716940 (E_RNA) where: Base-Base interactions energy: -58.509 where: short stacking energy: -23.694 Base-Backbone interact. energy: -0.096 local terms energy: -29.111713 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: -31735.894 (S_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: 209 Temperature: 1.350000 Total energy: -31961.048080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31961.048080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.757547 (E_RNA) where: Base-Base interactions energy: -64.142 where: short stacking energy: -15.760 Base-Backbone interact. energy: -0.024 local terms energy: -26.591745 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: -31870.291 (S_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: 210 Temperature: 0.900000 Total energy: -33717.646259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33717.646259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.636276 (E_RNA) where: Base-Base interactions energy: -64.183 where: short stacking energy: -28.112 Base-Backbone interact. energy: -0.001 local terms energy: -32.452505 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: -33621.010 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -33186.303430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33186.303430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.790497 (E_RNA) where: Base-Base interactions energy: -65.529 where: short stacking energy: -27.803 Base-Backbone interact. energy: -0.019 local terms energy: -32.242137 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: -33088.513 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -32390.700820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32390.700820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.623065 (E_RNA) where: Base-Base interactions energy: -66.361 where: short stacking energy: -28.726 Base-Backbone interact. energy: -0.538 local terms energy: -29.723456 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: -32294.078 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -32084.187616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32084.187616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.054579 (E_RNA) where: Base-Base interactions energy: -60.778 where: short stacking energy: -27.937 Base-Backbone interact. energy: -0.016 local terms energy: -35.260331 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -8.331 Dist. restrs. and SS energy: -31988.133 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -32085.818488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32085.818488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.077259 (E_RNA) where: Base-Base interactions energy: -61.255 where: short stacking energy: -25.332 Base-Backbone interact. energy: -0.007 local terms energy: -17.814848 where: bonds (distance) C4'-P energy: -1.498 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: -32006.741 (S_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: 210 Temperature: 1.150000 Total energy: -31972.542807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31972.542807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.334031 (E_RNA) where: Base-Base interactions energy: -57.648 where: short stacking energy: -22.008 Base-Backbone interact. energy: -0.035 local terms energy: -29.650310 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -5.641 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -6.623 Dist. restrs. and SS energy: -31885.209 (S_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: 210 Temperature: 1.200000 Total energy: -32175.698956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32175.698956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.367092 (E_RNA) where: Base-Base interactions energy: -55.073 where: short stacking energy: -27.135 Base-Backbone interact. energy: -0.107 local terms energy: -26.186614 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -3.428 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: -32094.332 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -31981.220569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31981.220569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.902778 (E_RNA) where: Base-Base interactions energy: -62.776 where: short stacking energy: -31.404 Base-Backbone interact. energy: -1.318 local terms energy: -31.808390 where: bonds (distance) C4'-P energy: -1.436 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: -31885.318 (S_DIST_RNA) chem. 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: -32091.129904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32091.129904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.443933 (E_RNA) where: Base-Base interactions energy: -59.467 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.333 local terms energy: -29.643973 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -5.976 Dist. restrs. and SS energy: -32001.686 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -32052.069616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32052.069616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.817935 (E_RNA) where: Base-Base interactions energy: -61.769 where: short stacking energy: -24.326 Base-Backbone interact. energy: -1.183 local terms energy: -28.865823 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: -31960.252 (S_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: 211 Temperature: 0.900000 Total energy: -33798.964614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33798.964614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.763360 (E_RNA) where: Base-Base interactions energy: -66.185 where: short stacking energy: -30.230 Base-Backbone interact. energy: -0.000 local terms energy: -35.577807 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -6.063 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: -33697.201 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -33308.556109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33308.556109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.576536 (E_RNA) where: Base-Base interactions energy: -67.396 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.649 local terms energy: -36.531336 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: -33203.980 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -32494.124425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32494.124425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.220187 (E_RNA) where: Base-Base interactions energy: -64.829 where: short stacking energy: -31.179 Base-Backbone interact. energy: -0.137 local terms energy: -35.253503 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: -32393.904 (S_DIST_RNA) chem. 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: -32223.686561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32223.686561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.324522 (E_RNA) where: Base-Base interactions energy: -75.371 where: short stacking energy: -26.828 Base-Backbone interact. energy: -0.000 local terms energy: -24.953191 where: bonds (distance) C4'-P energy: -4.706 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: -32123.362 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -32228.950204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32228.950204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.175825 (E_RNA) where: Base-Base interactions energy: -66.557 where: short stacking energy: -28.776 Base-Backbone interact. energy: -0.015 local terms energy: -29.603829 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.536 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: -32132.774 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -32424.307930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32424.307930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.781783 (E_RNA) where: Base-Base interactions energy: -60.100 where: short stacking energy: -28.087 Base-Backbone interact. energy: 0.082 local terms energy: -26.764548 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: -32337.526 (S_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: 211 Temperature: 1.200000 Total energy: -32119.664897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32119.664897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.518017 (E_RNA) where: Base-Base interactions energy: -59.682 where: short stacking energy: -33.234 Base-Backbone interact. energy: -0.001 local terms energy: -34.834480 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -7.336 Dist. restrs. and SS energy: -32025.147 (S_DIST_RNA) chem. 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: -32279.927769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32279.927769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.602359 (E_RNA) where: Base-Base interactions energy: -69.178 where: short stacking energy: -32.574 Base-Backbone interact. energy: -0.034 local terms energy: -23.389870 where: bonds (distance) C4'-P energy: -4.384 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: -32187.325 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -32222.304149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32222.304149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.121082 (E_RNA) where: Base-Base interactions energy: -52.786 where: short stacking energy: -14.671 Base-Backbone interact. energy: -0.009 local terms energy: -33.326485 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: -32136.183 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -32240.957135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32240.957135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.676758 (E_RNA) where: Base-Base interactions energy: -61.229 where: short stacking energy: -28.555 Base-Backbone interact. energy: -1.033 local terms energy: -27.414212 where: bonds (distance) C4'-P energy: -3.662 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: -8.366 Dist. restrs. and SS energy: -32151.280 (S_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: 212 Temperature: 0.900000 Total energy: -33906.177335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33906.177335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.010275 (E_RNA) where: Base-Base interactions energy: -66.107 where: short stacking energy: -30.682 Base-Backbone interact. energy: -0.000 local terms energy: -37.902774 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: -33802.167 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -33436.770915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33436.770915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.396006 (E_RNA) where: Base-Base interactions energy: -68.919 where: short stacking energy: -34.779 Base-Backbone interact. energy: -0.001 local terms energy: -39.476279 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -9.179 Dist. restrs. and SS energy: -33328.375 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -32596.414709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32596.414709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.585433 (E_RNA) where: Base-Base interactions energy: -63.906 where: short stacking energy: -31.031 Base-Backbone interact. energy: -0.002 local terms energy: -31.678227 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: -32500.829 (S_DIST_RNA) chem. 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: -32309.888443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32309.888443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.966250 (E_RNA) where: Base-Base interactions energy: -67.006 where: short stacking energy: -34.155 Base-Backbone interact. energy: -0.001 local terms energy: -32.959231 where: bonds (distance) C4'-P energy: -2.694 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -9.211 Dist. restrs. and SS energy: -32209.922 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -32658.241939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32658.241939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.321870 (E_RNA) where: Base-Base interactions energy: -65.104 where: short stacking energy: -29.636 Base-Backbone interact. energy: -0.038 local terms energy: -29.179175 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -1.417 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: -32563.920 (S_DIST_RNA) chem. 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: -32370.876981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32370.876981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.960283 (E_RNA) where: Base-Base interactions energy: -69.122 where: short stacking energy: -34.922 Base-Backbone interact. energy: -0.000 local terms energy: -32.838213 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: -32268.917 (S_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: 212 Temperature: 1.200000 Total energy: -32433.573393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32433.573393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.399500 (E_RNA) where: Base-Base interactions energy: -69.807 where: short stacking energy: -25.361 Base-Backbone interact. energy: -0.255 local terms energy: -26.337401 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: -32337.174 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -32282.132715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32282.132715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.215126 (E_RNA) where: Base-Base interactions energy: -58.910 where: short stacking energy: -28.879 Base-Backbone interact. energy: -0.001 local terms energy: -30.304648 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -7.930 Dist. restrs. and SS energy: -32192.918 (S_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: -32406.061486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32406.061486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.787026 (E_RNA) where: Base-Base interactions energy: -67.199 where: short stacking energy: -23.589 Base-Backbone interact. energy: -0.017 local terms energy: -22.571772 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: 0.572 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: -32316.274 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -32424.673804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32424.673804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.524244 (E_RNA) where: Base-Base interactions energy: -50.130 where: short stacking energy: -20.000 Base-Backbone interact. energy: 0.434 local terms energy: -15.828661 where: bonds (distance) C4'-P energy: -5.240 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.349 flat angles P-C4'-P energy: 1.054 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: -32359.150 (S_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: 213 Temperature: 0.900000 Total energy: -34022.539446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34022.539446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.964609 (E_RNA) where: Base-Base interactions energy: -68.705 where: short stacking energy: -33.605 Base-Backbone interact. energy: -0.000 local terms energy: -38.259324 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: -33915.575 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -33552.483677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33552.483677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.141573 (E_RNA) where: Base-Base interactions energy: -64.119 where: short stacking energy: -24.883 Base-Backbone interact. energy: -0.001 local terms energy: -36.021887 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: -33452.342 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -32725.619062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32725.619062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.754743 (E_RNA) where: Base-Base interactions energy: -69.132 where: short stacking energy: -33.650 Base-Backbone interact. energy: -0.000 local terms energy: -36.622012 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -8.026 Dist. restrs. and SS energy: -32619.864 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -32895.113667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32895.113667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.467426 (E_RNA) where: Base-Base interactions energy: -62.299 where: short stacking energy: -27.842 Base-Backbone interact. energy: -0.050 local terms energy: -33.117988 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -7.064 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: -32799.646 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -32437.896766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32437.896766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.146375 (E_RNA) where: Base-Base interactions energy: -64.301 where: short stacking energy: -31.779 Base-Backbone interact. energy: -0.000 local terms energy: -34.844729 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: -32338.750 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -32565.134632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32565.134632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.920937 (E_RNA) where: Base-Base interactions energy: -60.484 where: short stacking energy: -25.403 Base-Backbone interact. energy: -0.011 local terms energy: -25.425648 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: -32479.214 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -32522.074666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32522.074666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.462799 (E_RNA) where: Base-Base interactions energy: -64.287 where: short stacking energy: -27.271 Base-Backbone interact. energy: -0.004 local terms energy: -32.171832 where: bonds (distance) C4'-P energy: -6.623 bonds (distance) P-C4' energy: -6.702 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: -32425.612 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -32541.241286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32541.241286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.946059 (E_RNA) where: Base-Base interactions energy: -54.749 where: short stacking energy: -18.941 Base-Backbone interact. energy: -0.000 local terms energy: -28.197182 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -6.847 Dist. restrs. and SS energy: -32458.295 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -32439.562058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32439.562058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.642514 (E_RNA) where: Base-Base interactions energy: -67.582 where: short stacking energy: -28.260 Base-Backbone interact. energy: -0.015 local terms energy: -17.045839 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -2.538 flat angles C4'-P-C4' energy: -1.029 flat angles P-C4'-P energy: -1.689 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: -32354.920 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -32662.940760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32662.940760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.467593 (E_RNA) where: Base-Base interactions energy: -54.175 where: short stacking energy: -20.681 Base-Backbone interact. energy: -0.006 local terms energy: -27.286764 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -0.595 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: -32581.473 (S_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: 214 Temperature: 0.900000 Total energy: -34116.740130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34116.740130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.640234 (E_RNA) where: Base-Base interactions energy: -68.878 where: short stacking energy: -38.598 Base-Backbone interact. energy: -0.610 local terms energy: -39.152045 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -10.026 Dist. restrs. and SS energy: -34008.100 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -33643.587278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33643.587278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.943082 (E_RNA) where: Base-Base interactions energy: -63.583 where: short stacking energy: -23.139 Base-Backbone interact. energy: -0.007 local terms energy: -30.353089 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: -33549.644 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -33163.396770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33163.396770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.071181 (E_RNA) where: Base-Base interactions energy: -55.929 where: short stacking energy: -29.078 Base-Backbone interact. energy: -0.010 local terms energy: -36.132594 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: -33071.326 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -32845.755130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32845.755130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.068931 (E_RNA) where: Base-Base interactions energy: -65.773 where: short stacking energy: -31.366 Base-Backbone interact. energy: -0.092 local terms energy: -34.203675 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -6.290 Dist. restrs. and SS energy: -32745.686 (S_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: 214 Temperature: 1.100000 Total energy: -32689.283294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32689.283294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.797322 (E_RNA) where: Base-Base interactions energy: -65.731 where: short stacking energy: -26.351 Base-Backbone interact. energy: -0.346 local terms energy: -27.719518 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -2.868 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: -32595.486 (S_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: 214 Temperature: 1.150000 Total energy: -32561.701926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32561.701926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.471128 (E_RNA) where: Base-Base interactions energy: -62.924 where: short stacking energy: -32.932 Base-Backbone interact. energy: 0.235 local terms energy: -31.781689 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -9.368 Dist. restrs. and SS energy: -32467.231 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -32757.723827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32757.723827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.648643 (E_RNA) where: Base-Base interactions energy: -56.860 where: short stacking energy: -23.559 Base-Backbone interact. energy: -0.024 local terms energy: -25.764151 where: bonds (distance) C4'-P energy: -6.520 bonds (distance) P-C4' energy: -3.169 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -2.019 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: -32675.075 (S_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: 214 Temperature: 1.250000 Total energy: -32692.099319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32692.099319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.315456 (E_RNA) where: Base-Base interactions energy: -60.160 where: short stacking energy: -35.812 Base-Backbone interact. energy: -0.010 local terms energy: -31.145047 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -7.327 Dist. restrs. and SS energy: -32600.784 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -32862.154408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32862.154408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.953535 (E_RNA) where: Base-Base interactions energy: -51.610 where: short stacking energy: -18.233 Base-Backbone interact. energy: -0.005 local terms energy: -25.338356 where: bonds (distance) C4'-P energy: -5.588 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: -32785.201 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -32640.975892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32640.975892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.726906 (E_RNA) where: Base-Base interactions energy: -51.541 where: short stacking energy: -18.168 Base-Backbone interact. energy: -0.020 local terms energy: -29.165390 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -4.349 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: -32560.249 (S_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: 215 Temperature: 0.900000 Total energy: -34208.097320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34208.097320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.955814 (E_RNA) where: Base-Base interactions energy: -68.263 where: short stacking energy: -27.761 Base-Backbone interact. energy: -0.003 local terms energy: -33.689538 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: -34106.142 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -33755.217833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33755.217833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.000584 (E_RNA) where: Base-Base interactions energy: -64.826 where: short stacking energy: -35.296 Base-Backbone interact. energy: -0.001 local terms energy: -39.173178 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -9.837 Dist. restrs. and SS energy: -33651.217 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -33422.479119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33422.479119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.541120 (E_RNA) where: Base-Base interactions energy: -62.532 where: short stacking energy: -27.332 Base-Backbone interact. energy: -0.103 local terms energy: -22.905854 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: -33336.938 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -32980.786352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32980.786352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.088996 (E_RNA) where: Base-Base interactions energy: -59.848 where: short stacking energy: -26.704 Base-Backbone interact. energy: -0.009 local terms energy: -27.231588 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: -32893.697 (S_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: 215 Temperature: 1.100000 Total energy: -32829.398446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32829.398446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.404478 (E_RNA) where: Base-Base interactions energy: -64.338 where: short stacking energy: -22.498 Base-Backbone interact. energy: -0.002 local terms energy: -31.064578 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: -32733.994 (S_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: 215 Temperature: 1.150000 Total energy: -32914.473134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32914.473134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.825898 (E_RNA) where: Base-Base interactions energy: -60.841 where: short stacking energy: -26.812 Base-Backbone interact. energy: -0.051 local terms energy: -22.934434 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: 0.932 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: -32830.647 (S_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: 215 Temperature: 1.200000 Total energy: -32716.642286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32716.642286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.060201 (E_RNA) where: Base-Base interactions energy: -63.638 where: short stacking energy: -28.287 Base-Backbone interact. energy: -0.852 local terms energy: -35.570185 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -7.074 Dist. restrs. and SS energy: -32616.582 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -33038.303578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33038.303578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.584433 (E_RNA) where: Base-Base interactions energy: -60.047 where: short stacking energy: -20.975 Base-Backbone interact. energy: -1.073 local terms energy: -20.464494 where: bonds (distance) C4'-P energy: -2.525 bonds (distance) P-C4' energy: -4.008 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: -32956.719 (S_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: 215 Temperature: 1.300000 Total energy: -32850.372025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32850.372025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.804612 (E_RNA) where: Base-Base interactions energy: -64.392 where: short stacking energy: -29.135 Base-Backbone interact. energy: -0.000 local terms energy: -30.412676 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: -32755.567 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -32827.376627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32827.376627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.551376 (E_RNA) where: Base-Base interactions energy: -64.294 where: short stacking energy: -26.692 Base-Backbone interact. energy: -0.068 local terms energy: -14.189186 where: bonds (distance) C4'-P energy: -2.429 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: 1.866 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: -32748.825 (S_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: 216 Temperature: 0.900000 Total energy: -34313.100400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34313.100400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.484764 (E_RNA) where: Base-Base interactions energy: -68.966 where: short stacking energy: -26.648 Base-Backbone interact. energy: -0.010 local terms energy: -29.509269 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -5.502 Dist. restrs. and SS energy: -34214.616 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -33852.947488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33852.947488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.441361 (E_RNA) where: Base-Base interactions energy: -64.738 where: short stacking energy: -30.986 Base-Backbone interact. energy: -0.916 local terms energy: -30.787199 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -6.823 Dist. restrs. and SS energy: -33756.506 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -33712.981583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33712.981583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.336074 (E_RNA) where: Base-Base interactions energy: -62.668 where: short stacking energy: -27.232 Base-Backbone interact. energy: -0.015 local terms energy: -32.652426 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.607 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: -33617.646 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -33089.083824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33089.083824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.470005 (E_RNA) where: Base-Base interactions energy: -63.116 where: short stacking energy: -25.851 Base-Backbone interact. energy: -0.034 local terms energy: -27.320476 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -1.186 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: -32998.614 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -33056.321209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33056.321209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.720442 (E_RNA) where: Base-Base interactions energy: -66.302 where: short stacking energy: -26.552 Base-Backbone interact. energy: -0.005 local terms energy: -29.412652 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: -32960.601 (S_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: 216 Temperature: 1.150000 Total energy: -32949.737500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32949.737500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.607343 (E_RNA) where: Base-Base interactions energy: -58.894 where: short stacking energy: -27.380 Base-Backbone interact. energy: -0.000 local terms energy: -35.712598 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: -32855.130 (S_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: 216 Temperature: 1.200000 Total energy: -33176.733070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33176.733070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.116890 (E_RNA) where: Base-Base interactions energy: -62.616 where: short stacking energy: -33.404 Base-Backbone interact. energy: -0.007 local terms energy: -33.493128 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: -33080.616 (S_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: 216 Temperature: 1.250000 Total energy: -32887.976842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32887.976842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.101970 (E_RNA) where: Base-Base interactions energy: -63.776 where: short stacking energy: -34.245 Base-Backbone interact. energy: -0.009 local terms energy: -29.316992 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: -32794.875 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -32998.078829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32998.078829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.858524 (E_RNA) where: Base-Base interactions energy: -62.696 where: short stacking energy: -30.558 Base-Backbone interact. energy: -0.000 local terms energy: -31.162361 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -5.637 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -1.219 tors. eta vs tors. theta energy: -8.966 Dist. restrs. and SS energy: -32904.220 (S_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: 216 Temperature: 1.350000 Total energy: -33056.558985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33056.558985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.035581 (E_RNA) where: Base-Base interactions energy: -62.394 where: short stacking energy: -28.340 Base-Backbone interact. energy: 0.105 local terms energy: -26.746044 where: bonds (distance) C4'-P energy: -5.755 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -1.332 tors. eta vs tors. theta energy: -8.300 Dist. restrs. and SS energy: -32967.523 (S_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: 217 Temperature: 0.900000 Total energy: -34416.320349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34416.320349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.747889 (E_RNA) where: Base-Base interactions energy: -64.456 where: short stacking energy: -28.643 Base-Backbone interact. energy: -0.217 local terms energy: -27.074104 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -0.910 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: -34324.572 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -33939.879786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33939.879786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.690698 (E_RNA) where: Base-Base interactions energy: -67.413 where: short stacking energy: -26.657 Base-Backbone interact. energy: -0.238 local terms energy: -34.040310 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -1.760 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: -33838.189 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -33957.369684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33957.369684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.646510 (E_RNA) where: Base-Base interactions energy: -63.688 where: short stacking energy: -23.753 Base-Backbone interact. energy: -0.088 local terms energy: -23.869845 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -2.461 Dist. restrs. and SS energy: -33869.723 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -33181.573550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33181.573550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.015372 (E_RNA) where: Base-Base interactions energy: -67.575 where: short stacking energy: -32.684 Base-Backbone interact. energy: -0.230 local terms energy: -30.209973 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -0.142 tors. eta vs tors. theta energy: -8.126 Dist. restrs. and SS energy: -33083.558 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -33251.892369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33251.892369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.490440 (E_RNA) where: Base-Base interactions energy: -65.376 where: short stacking energy: -33.692 Base-Backbone interact. energy: -1.293 local terms energy: -35.821699 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -9.455 Dist. restrs. and SS energy: -33149.402 (S_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: 217 Temperature: 1.150000 Total energy: -33305.605972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33305.605972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.404454 (E_RNA) where: Base-Base interactions energy: -61.907 where: short stacking energy: -20.907 Base-Backbone interact. energy: 0.095 local terms energy: -31.592435 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: -33212.202 (S_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: 217 Temperature: 1.200000 Total energy: -33112.669717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33112.669717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.100173 (E_RNA) where: Base-Base interactions energy: -71.219 where: short stacking energy: -25.298 Base-Backbone interact. energy: -0.002 local terms energy: -31.878435 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: -33009.570 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -33181.945023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33181.945023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.336862 (E_RNA) where: Base-Base interactions energy: -63.064 where: short stacking energy: -34.651 Base-Backbone interact. energy: 0.615 local terms energy: -20.887533 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -3.486 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -4.725 Dist. restrs. and SS energy: -33098.608 (S_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: 217 Temperature: 1.300000 Total energy: -33036.974738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33036.974738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.610006 (E_RNA) where: Base-Base interactions energy: -52.881 where: short stacking energy: -26.829 Base-Backbone interact. energy: -0.074 local terms energy: -28.655533 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: -32955.365 (S_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: 217 Temperature: 1.350000 Total energy: -33234.018167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33234.018167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.397875 (E_RNA) where: Base-Base interactions energy: -55.935 where: short stacking energy: -25.095 Base-Backbone interact. energy: -0.030 local terms energy: -29.432455 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -1.370 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: -33148.620 (S_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: 218 Temperature: 0.900000 Total energy: -34499.090000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34499.090000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.597723 (E_RNA) where: Base-Base interactions energy: -75.185 where: short stacking energy: -27.311 Base-Backbone interact. energy: -0.002 local terms energy: -28.410909 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: -34395.492 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -34043.172351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34043.172351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.872248 (E_RNA) where: Base-Base interactions energy: -65.998 where: short stacking energy: -34.290 Base-Backbone interact. energy: -0.908 local terms energy: -32.966352 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: -33943.300 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -34178.068937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34178.068937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.742638 (E_RNA) where: Base-Base interactions energy: -56.243 where: short stacking energy: -19.711 Base-Backbone interact. energy: -0.103 local terms energy: -27.397070 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: -34094.326 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -33284.992626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33284.992626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.538104 (E_RNA) where: Base-Base interactions energy: -63.908 where: short stacking energy: -22.035 Base-Backbone interact. energy: -0.192 local terms energy: -26.437730 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.325 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: -33194.455 (S_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: 218 Temperature: 1.100000 Total energy: -33425.139800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33425.139800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.571112 (E_RNA) where: Base-Base interactions energy: -61.149 where: short stacking energy: -28.718 Base-Backbone interact. energy: -1.567 local terms energy: -25.855467 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: -33336.569 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -33375.940943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33375.940943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.247494 (E_RNA) where: Base-Base interactions energy: -63.791 where: short stacking energy: -27.877 Base-Backbone interact. energy: 0.025 local terms energy: -33.481671 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: -33278.693 (S_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: 218 Temperature: 1.200000 Total energy: -33322.348684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33322.348684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.517311 (E_RNA) where: Base-Base interactions energy: -66.932 where: short stacking energy: -21.465 Base-Backbone interact. energy: -0.642 local terms energy: -25.943276 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: -33228.831 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -33246.377568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33246.377568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.575655 (E_RNA) where: Base-Base interactions energy: -67.950 where: short stacking energy: -16.409 Base-Backbone interact. energy: -0.007 local terms energy: -27.618322 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: -33150.802 (S_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: 218 Temperature: 1.300000 Total energy: -33552.435732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33552.435732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.846764 (E_RNA) where: Base-Base interactions energy: -56.148 where: short stacking energy: -22.927 Base-Backbone interact. energy: -0.449 local terms energy: -28.250390 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: -33467.589 (S_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: 218 Temperature: 1.350000 Total energy: -33216.423205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33216.423205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.404588 (E_RNA) where: Base-Base interactions energy: -59.617 where: short stacking energy: -30.228 Base-Backbone interact. energy: -0.001 local terms energy: -33.786790 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: -33123.019 (S_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: 219 Temperature: 0.900000 Total energy: -34576.945742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34576.945742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.910390 (E_RNA) where: Base-Base interactions energy: -67.621 where: short stacking energy: -33.321 Base-Backbone interact. energy: -1.182 local terms energy: -32.106866 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -0.975 tors. eta vs tors. theta energy: -9.091 Dist. restrs. and SS energy: -34476.035 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -34352.622747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34352.622747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.195616 (E_RNA) where: Base-Base interactions energy: -65.925 where: short stacking energy: -27.132 Base-Backbone interact. energy: -0.024 local terms energy: -28.246224 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: -34258.427 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -34166.096634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34166.096634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.446009 (E_RNA) where: Base-Base interactions energy: -64.508 where: short stacking energy: -32.752 Base-Backbone interact. energy: -0.003 local terms energy: -36.934697 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: -34064.651 (S_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: 219 Temperature: 1.050000 Total energy: -33554.513460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33554.513460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.521374 (E_RNA) where: Base-Base interactions energy: -66.651 where: short stacking energy: -32.823 Base-Backbone interact. energy: -0.000 local terms energy: -28.870483 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -6.636 Dist. restrs. and SS energy: -33458.992 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -33415.266613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33415.266613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.511869 (E_RNA) where: Base-Base interactions energy: -69.449 where: short stacking energy: -29.881 Base-Backbone interact. energy: -0.001 local terms energy: -30.062534 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: -33315.755 (S_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: 219 Temperature: 1.150000 Total energy: -33536.193133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33536.193133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.286775 (E_RNA) where: Base-Base interactions energy: -67.693 where: short stacking energy: -29.977 Base-Backbone interact. energy: 2.132 local terms energy: -34.725045 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.478 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: -33435.906 (S_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: 219 Temperature: 1.200000 Total energy: -33465.107809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33465.107809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.018818 (E_RNA) where: Base-Base interactions energy: -61.431 where: short stacking energy: -25.619 Base-Backbone interact. energy: -0.002 local terms energy: -27.585791 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -0.645 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: -33376.089 (S_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: 219 Temperature: 1.250000 Total energy: -33927.252101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33927.252101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.098073 (E_RNA) where: Base-Base interactions energy: -66.102 where: short stacking energy: -27.029 Base-Backbone interact. energy: -0.041 local terms energy: -22.954380 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -3.102 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: -33838.154 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -33393.167349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33393.167349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.938473 (E_RNA) where: Base-Base interactions energy: -58.712 where: short stacking energy: -27.613 Base-Backbone interact. energy: -1.221 local terms energy: -27.005725 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.115 flat angles P-C4'-P energy: 1.178 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: -33306.229 (S_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: 219 Temperature: 1.350000 Total energy: -33431.518457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33431.518457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.797659 (E_RNA) where: Base-Base interactions energy: -56.034 where: short stacking energy: -23.757 Base-Backbone interact. energy: -0.003 local terms energy: -22.760871 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -1.090 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: -33352.721 (S_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: 220 Temperature: 0.900000 Total energy: -34659.231847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34659.231847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.290038 (E_RNA) where: Base-Base interactions energy: -67.587 where: short stacking energy: -33.558 Base-Backbone interact. energy: -0.001 local terms energy: -35.701959 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: -34555.942 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -34556.675243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34556.675243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.783673 (E_RNA) where: Base-Base interactions energy: -64.044 where: short stacking energy: -25.493 Base-Backbone interact. energy: -0.109 local terms energy: -28.630090 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: -34463.892 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -34287.448277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34287.448277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.511254 (E_RNA) where: Base-Base interactions energy: -69.911 where: short stacking energy: -35.920 Base-Backbone interact. energy: -0.000 local terms energy: -33.600055 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -7.136 Dist. restrs. and SS energy: -34183.937 (S_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: 220 Temperature: 1.050000 Total energy: -33708.573136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33708.573136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.360222 (E_RNA) where: Base-Base interactions energy: -59.020 where: short stacking energy: -23.717 Base-Backbone interact. energy: -0.001 local terms energy: -35.338870 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -7.020 Dist. restrs. and SS energy: -33614.213 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -33650.440006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33650.440006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.471637 (E_RNA) where: Base-Base interactions energy: -60.994 where: short stacking energy: -25.896 Base-Backbone interact. energy: -1.358 local terms energy: -33.119282 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: -33554.968 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -33532.930621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33532.930621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.616716 (E_RNA) where: Base-Base interactions energy: -66.264 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.873 local terms energy: -35.480060 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -7.710 Dist. restrs. and SS energy: -33430.314 (S_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: 220 Temperature: 1.200000 Total energy: -34095.809818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34095.809818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.108056 (E_RNA) where: Base-Base interactions energy: -65.168 where: short stacking energy: -32.723 Base-Backbone interact. energy: -0.000 local terms energy: -35.939179 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.523 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -9.150 Dist. restrs. and SS energy: -33994.702 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -33608.624158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33608.624158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.263302 (E_RNA) where: Base-Base interactions energy: -58.593 where: short stacking energy: -22.525 Base-Backbone interact. energy: -0.010 local terms energy: -26.659897 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.683 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: -33523.361 (S_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: 220 Temperature: 1.300000 Total energy: -33629.174997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33629.174997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.006540 (E_RNA) where: Base-Base interactions energy: -56.505 where: short stacking energy: -20.339 Base-Backbone interact. energy: -0.001 local terms energy: -26.501115 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: -33546.168 (S_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: -33568.877548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33568.877548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.579410 (E_RNA) where: Base-Base interactions energy: -60.337 where: short stacking energy: -19.070 Base-Backbone interact. energy: 1.450 local terms energy: -20.692368 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -1.092 flat angles P-C4'-P energy: -0.700 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: -33489.298 (S_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: 221 Temperature: 0.900000 Total energy: -34768.854313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34768.854313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.640447 (E_RNA) where: Base-Base interactions energy: -66.544 where: short stacking energy: -29.922 Base-Backbone interact. energy: -0.616 local terms energy: -35.480638 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: -34666.214 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -34719.995093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34719.995093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.976374 (E_RNA) where: Base-Base interactions energy: -65.836 where: short stacking energy: -27.660 Base-Backbone interact. energy: -0.007 local terms energy: -30.133080 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: -34624.019 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -34401.289765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34401.289765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.294376 (E_RNA) where: Base-Base interactions energy: -67.746 where: short stacking energy: -33.015 Base-Backbone interact. energy: -0.000 local terms energy: -37.548041 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: -34295.995 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -33779.115874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33779.115874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.197195 (E_RNA) where: Base-Base interactions energy: -62.796 where: short stacking energy: -25.990 Base-Backbone interact. energy: -0.620 local terms energy: -29.781308 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: -33685.919 (S_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: 221 Temperature: 1.100000 Total energy: -33799.673258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33799.673258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.645666 (E_RNA) where: Base-Base interactions energy: -57.483 where: short stacking energy: -19.856 Base-Backbone interact. energy: -0.107 local terms energy: -26.055783 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: -33716.028 (S_DIST_RNA) chem. 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: -34226.051008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34226.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.948343 (E_RNA) where: Base-Base interactions energy: -67.752 where: short stacking energy: -31.571 Base-Backbone interact. energy: -0.000 local terms energy: -36.196151 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -7.485 Dist. restrs. and SS energy: -34122.103 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -33712.066518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33712.066518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.437054 (E_RNA) where: Base-Base interactions energy: -64.237 where: short stacking energy: -31.708 Base-Backbone interact. energy: -0.595 local terms energy: -32.605179 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -7.253 Dist. restrs. and SS energy: -33614.629 (S_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: 221 Temperature: 1.250000 Total energy: -33807.646029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33807.646029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.150845 (E_RNA) where: Base-Base interactions energy: -59.966 where: short stacking energy: -20.605 Base-Backbone interact. energy: -0.017 local terms energy: -29.167580 where: bonds (distance) C4'-P energy: -5.192 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: -33718.495 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -33771.867943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33771.867943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.158924 (E_RNA) where: Base-Base interactions energy: -52.204 where: short stacking energy: -23.736 Base-Backbone interact. energy: 0.238 local terms energy: -23.192371 where: bonds (distance) C4'-P energy: 1.818 bonds (distance) P-C4' energy: -7.131 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: -33696.709 (S_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: -33752.222620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33752.222620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.082453 (E_RNA) where: Base-Base interactions energy: -56.586 where: short stacking energy: -30.136 Base-Backbone interact. energy: -1.065 local terms energy: -32.432006 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -9.185 Dist. restrs. and SS energy: -33662.140 (S_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: 222 Temperature: 0.900000 Total energy: -34848.081196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34848.081196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.960719 (E_RNA) where: Base-Base interactions energy: -65.223 where: short stacking energy: -29.045 Base-Backbone interact. energy: -0.003 local terms energy: -37.734058 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -7.223 Dist. restrs. and SS energy: -34745.120 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -34960.280685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34960.280685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.648529 (E_RNA) where: Base-Base interactions energy: -59.681 where: short stacking energy: -25.775 Base-Backbone interact. energy: -0.012 local terms energy: -29.955773 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: -34870.632 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -34515.639462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34515.639462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.459990 (E_RNA) where: Base-Base interactions energy: -69.090 where: short stacking energy: -30.338 Base-Backbone interact. energy: -0.002 local terms energy: -26.368386 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -0.803 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: -34420.179 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -33922.436056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33922.436056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.507909 (E_RNA) where: Base-Base interactions energy: -65.391 where: short stacking energy: -22.461 Base-Backbone interact. energy: -0.004 local terms energy: -29.113329 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: -33827.928 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -34372.153588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34372.153588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.334092 (E_RNA) where: Base-Base interactions energy: -66.283 where: short stacking energy: -27.850 Base-Backbone interact. energy: -0.037 local terms energy: -29.014411 where: bonds (distance) C4'-P energy: -2.049 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: -34276.819 (S_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: 222 Temperature: 1.150000 Total energy: -33927.319622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33927.319622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.621621 (E_RNA) where: Base-Base interactions energy: -64.432 where: short stacking energy: -21.339 Base-Backbone interact. energy: 0.424 local terms energy: -25.614031 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -1.977 Dist. restrs. and SS energy: -33837.698 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -33996.173968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33996.173968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.629741 (E_RNA) where: Base-Base interactions energy: -66.021 where: short stacking energy: -29.440 Base-Backbone interact. energy: -0.208 local terms energy: -26.399977 where: bonds (distance) C4'-P energy: -2.964 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: -33903.544 (S_DIST_RNA) chem. 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: -33829.516283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33829.516283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.139202 (E_RNA) where: Base-Base interactions energy: -60.219 where: short stacking energy: -23.228 Base-Backbone interact. energy: 0.113 local terms energy: -29.033477 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: -33740.377 (S_DIST_RNA) chem. 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: -33943.667952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33943.667952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.758554 (E_RNA) where: Base-Base interactions energy: -60.785 where: short stacking energy: -26.317 Base-Backbone interact. energy: -0.004 local terms energy: -27.968899 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: -33854.909 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -33948.799862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33948.799862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.977710 (E_RNA) where: Base-Base interactions energy: -57.579 where: short stacking energy: -30.747 Base-Backbone interact. energy: -0.000 local terms energy: -38.398623 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -8.266 Dist. restrs. and SS energy: -33852.822 (S_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: 223 Temperature: 0.900000 Total energy: -34942.604882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34942.604882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.674539 (E_RNA) where: Base-Base interactions energy: -66.322 where: short stacking energy: -31.786 Base-Backbone interact. energy: -0.996 local terms energy: -32.356264 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -7.768 Dist. restrs. and SS energy: -34842.930 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -35194.582286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35194.582286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.382370 (E_RNA) where: Base-Base interactions energy: -61.686 where: short stacking energy: -26.836 Base-Backbone interact. energy: -0.045 local terms energy: -32.651632 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: -35100.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -34641.557833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34641.557833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.968315 (E_RNA) where: Base-Base interactions energy: -66.620 where: short stacking energy: -27.771 Base-Backbone interact. energy: 0.098 local terms energy: -27.446731 where: bonds (distance) C4'-P energy: -4.944 bonds (distance) P-C4' energy: -5.426 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: -34547.590 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -34500.614418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34500.614418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.880543 (E_RNA) where: Base-Base interactions energy: -64.099 where: short stacking energy: -23.962 Base-Backbone interact. energy: -0.001 local terms energy: -30.781363 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: -34405.734 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -34046.455752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34046.455752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.531785 (E_RNA) where: Base-Base interactions energy: -65.491 where: short stacking energy: -34.663 Base-Backbone interact. energy: -0.000 local terms energy: -31.040956 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: -33949.924 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -34151.998182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34151.998182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.427796 (E_RNA) where: Base-Base interactions energy: -59.900 where: short stacking energy: -18.703 Base-Backbone interact. energy: -0.071 local terms energy: -31.456606 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: -34060.570 (S_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: 223 Temperature: 1.200000 Total energy: -34063.279800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34063.279800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.110616 (E_RNA) where: Base-Base interactions energy: -58.877 where: short stacking energy: -26.590 Base-Backbone interact. energy: -0.126 local terms energy: -31.107588 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.458 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: -33973.169 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -34109.370291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34109.370291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.245005 (E_RNA) where: Base-Base interactions energy: -54.522 where: short stacking energy: -23.027 Base-Backbone interact. energy: -0.004 local terms energy: -26.718712 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -3.250 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: -34028.125 (S_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: 223 Temperature: 1.300000 Total energy: -33987.129823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33987.129823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.159423 (E_RNA) where: Base-Base interactions energy: -59.518 where: short stacking energy: -30.521 Base-Backbone interact. energy: -0.002 local terms energy: -36.639910 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -7.592 Dist. restrs. and SS energy: -33890.970 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -34109.744190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34109.744190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.423680 (E_RNA) where: Base-Base interactions energy: -62.080 where: short stacking energy: -27.422 Base-Backbone interact. energy: -1.167 local terms energy: -26.176726 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: -34020.321 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -35451.250174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35451.250174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.123508 (E_RNA) where: Base-Base interactions energy: -72.154 where: short stacking energy: -32.678 Base-Backbone interact. energy: 0.873 local terms energy: -26.842502 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: -35353.127 (S_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: 224 Temperature: 0.950000 Total energy: -35046.640328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35046.640328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.740781 (E_RNA) where: Base-Base interactions energy: -68.440 where: short stacking energy: -30.503 Base-Backbone interact. energy: -0.052 local terms energy: -34.249099 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -7.616 Dist. restrs. and SS energy: -34943.900 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -34769.252282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34769.252282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.859734 (E_RNA) where: Base-Base interactions energy: -63.125 where: short stacking energy: -31.239 Base-Backbone interact. energy: -1.319 local terms energy: -31.416150 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -8.717 Dist. restrs. and SS energy: -34673.393 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -34601.105600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34601.105600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.916716 (E_RNA) where: Base-Base interactions energy: -61.282 where: short stacking energy: -25.330 Base-Backbone interact. energy: -0.400 local terms energy: -28.235056 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: -34511.189 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -34327.767051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34327.767051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.192611 (E_RNA) where: Base-Base interactions energy: -63.810 where: short stacking energy: -29.198 Base-Backbone interact. energy: -0.169 local terms energy: -35.213604 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -8.573 Dist. restrs. and SS energy: -34228.574 (S_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: 224 Temperature: 1.150000 Total energy: -34158.066644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34158.066644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.230869 (E_RNA) where: Base-Base interactions energy: -66.225 where: short stacking energy: -33.414 Base-Backbone interact. energy: -0.000 local terms energy: -33.005355 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: -34058.836 (S_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: 224 Temperature: 1.200000 Total energy: -34248.967185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34248.967185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.637539 (E_RNA) where: Base-Base interactions energy: -67.645 where: short stacking energy: -29.643 Base-Backbone interact. energy: -0.005 local terms energy: -24.987972 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -0.321 tors. eta vs tors. theta energy: -6.812 Dist. restrs. and SS energy: -34156.330 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -34231.988807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34231.988807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.514133 (E_RNA) where: Base-Base interactions energy: -64.498 where: short stacking energy: -32.115 Base-Backbone interact. energy: -0.005 local terms energy: -28.011242 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: -34139.475 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -34284.254182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34284.254182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.038165 (E_RNA) where: Base-Base interactions energy: -53.793 where: short stacking energy: -24.129 Base-Backbone interact. energy: -0.040 local terms energy: -29.204769 where: bonds (distance) C4'-P energy: -3.837 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -6.232 Dist. restrs. and SS energy: -34201.216 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -34154.159460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34154.159460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.538838 (E_RNA) where: Base-Base interactions energy: -69.713 where: short stacking energy: -26.540 Base-Backbone interact. energy: -0.006 local terms energy: -24.819794 where: bonds (distance) C4'-P energy: -4.195 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: -34059.621 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -35724.554441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35724.554441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.520833 (E_RNA) where: Base-Base interactions energy: -66.492 where: short stacking energy: -30.760 Base-Backbone interact. energy: 2.420 local terms energy: -31.448583 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: -35629.034 (S_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: 225 Temperature: 0.950000 Total energy: -35144.221484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35144.221484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.766829 (E_RNA) where: Base-Base interactions energy: -62.622 where: short stacking energy: -28.525 Base-Backbone interact. energy: -0.002 local terms energy: -29.143516 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -4.465 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -0.285 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: -35052.455 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -34901.236169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34901.236169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.736944 (E_RNA) where: Base-Base interactions energy: -65.604 where: short stacking energy: -27.763 Base-Backbone interact. energy: -0.001 local terms energy: -34.132015 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -6.595 Dist. restrs. and SS energy: -34801.499 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -34714.270411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34714.270411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.990813 (E_RNA) where: Base-Base interactions energy: -69.651 where: short stacking energy: -28.694 Base-Backbone interact. energy: -0.002 local terms energy: -28.337619 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -5.650 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -7.579 Dist. restrs. and SS energy: -34616.280 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -34457.158952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34457.158952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.982897 (E_RNA) where: Base-Base interactions energy: -63.748 where: short stacking energy: -29.594 Base-Backbone interact. energy: -1.056 local terms energy: -29.178698 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.427 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: -34363.176 (S_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: 225 Temperature: 1.150000 Total energy: -34390.679158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34390.679158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.154334 (E_RNA) where: Base-Base interactions energy: -61.320 where: short stacking energy: -29.446 Base-Backbone interact. energy: -0.003 local terms energy: -32.832026 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -6.940 tors. eta vs tors. theta energy: -8.278 Dist. restrs. and SS energy: -34296.525 (S_DIST_RNA) chem. 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: -34274.324589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34274.324589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.008126 (E_RNA) where: Base-Base interactions energy: -60.983 where: short stacking energy: -25.297 Base-Backbone interact. energy: -1.216 local terms energy: -30.808324 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -3.807 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -7.562 Dist. restrs. and SS energy: -34181.316 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -34466.896626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34466.896626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.748868 (E_RNA) where: Base-Base interactions energy: -59.212 where: short stacking energy: -23.447 Base-Backbone interact. energy: -0.003 local terms energy: -27.533578 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -4.666 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -1.036 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: -34380.148 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -34411.278834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34411.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.792226 (E_RNA) where: Base-Base interactions energy: -51.664 where: short stacking energy: -15.330 Base-Backbone interact. energy: -0.053 local terms energy: -25.075803 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: -34334.487 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -34301.343615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34301.343615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.118393 (E_RNA) where: Base-Base interactions energy: -62.215 where: short stacking energy: -29.941 Base-Backbone interact. energy: -1.058 local terms energy: -26.845636 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -2.793 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -0.803 tors. eta vs tors. theta energy: -7.767 Dist. restrs. and SS energy: -34211.225 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -35968.949459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35968.949459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.868347 (E_RNA) where: Base-Base interactions energy: -63.954 where: short stacking energy: -30.755 Base-Backbone interact. energy: -0.002 local terms energy: -25.912965 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: -35879.081 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -35255.678604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35255.678604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.805001 (E_RNA) where: Base-Base interactions energy: -68.510 where: short stacking energy: -27.167 Base-Backbone interact. energy: -0.024 local terms energy: -24.271189 where: bonds (distance) C4'-P energy: -6.308 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -3.660 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: -35162.874 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -35026.862066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35026.862066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.419451 (E_RNA) where: Base-Base interactions energy: -61.945 where: short stacking energy: -27.231 Base-Backbone interact. energy: -0.000 local terms energy: -38.474598 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -6.921 tors. eta vs tors. theta energy: -8.880 Dist. restrs. and SS energy: -34926.443 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -34830.575763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34830.575763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.164496 (E_RNA) where: Base-Base interactions energy: -65.745 where: short stacking energy: -21.100 Base-Backbone interact. energy: -0.004 local terms energy: -33.415610 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: -34731.411 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -34576.283867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34576.283867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.458412 (E_RNA) where: Base-Base interactions energy: -66.224 where: short stacking energy: -29.370 Base-Backbone interact. energy: -0.001 local terms energy: -27.234036 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -0.771 tors. eta vs tors. theta energy: -6.714 Dist. restrs. and SS energy: -34482.825 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -34532.871104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34532.871104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.785138 (E_RNA) where: Base-Base interactions energy: -62.063 where: short stacking energy: -35.472 Base-Backbone interact. energy: -0.000 local terms energy: -29.722371 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: -34441.086 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -34606.513889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34606.513889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.183754 (E_RNA) where: Base-Base interactions energy: -58.031 where: short stacking energy: -26.730 Base-Backbone interact. energy: -0.011 local terms energy: -24.142270 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -4.122 flat angles C4'-P-C4' energy: 0.072 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: -34524.330 (S_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: 226 Temperature: 1.250000 Total energy: -34393.581324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34393.581324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.274533 (E_RNA) where: Base-Base interactions energy: -53.647 where: short stacking energy: -21.148 Base-Backbone interact. energy: -0.019 local terms energy: -27.608868 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: -34312.307 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -34593.466284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34593.466284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.216836 (E_RNA) where: Base-Base interactions energy: -59.692 where: short stacking energy: -20.368 Base-Backbone interact. energy: -0.067 local terms energy: -23.457878 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -3.385 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -1.667 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: -34510.249 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -34444.551751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34444.551751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.130692 (E_RNA) where: Base-Base interactions energy: -59.770 where: short stacking energy: -26.571 Base-Backbone interact. energy: -0.095 local terms energy: -18.264946 where: bonds (distance) C4'-P energy: -4.661 bonds (distance) P-C4' energy: 0.012 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: -34366.421 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -36188.922783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36188.922783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.878366 (E_RNA) where: Base-Base interactions energy: -60.779 where: short stacking energy: -27.625 Base-Backbone interact. energy: -0.006 local terms energy: -28.092753 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: -36100.044 (S_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: 227 Temperature: 0.950000 Total energy: -35351.193719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35351.193719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.005596 (E_RNA) where: Base-Base interactions energy: -66.589 where: short stacking energy: -27.010 Base-Backbone interact. energy: -0.262 local terms energy: -36.154777 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: -35248.188 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -35135.279892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35135.279892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.184446 (E_RNA) where: Base-Base interactions energy: -71.638 where: short stacking energy: -27.680 Base-Backbone interact. energy: -0.257 local terms energy: -29.289926 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: -35034.095 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -34949.583974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34949.583974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.992535 (E_RNA) where: Base-Base interactions energy: -73.471 where: short stacking energy: -20.547 Base-Backbone interact. energy: 0.041 local terms energy: -23.563092 where: bonds (distance) C4'-P energy: -3.330 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -2.659 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: -34852.591 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -34726.020515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34726.020515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.062985 (E_RNA) where: Base-Base interactions energy: -64.587 where: short stacking energy: -25.452 Base-Backbone interact. energy: -0.356 local terms energy: -31.119872 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -8.695 Dist. restrs. and SS energy: -34629.958 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -34736.391198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34736.391198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.058766 (E_RNA) where: Base-Base interactions energy: -64.250 where: short stacking energy: -22.689 Base-Backbone interact. energy: -0.003 local terms energy: -27.805932 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: -34644.332 (S_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: 227 Temperature: 1.200000 Total energy: -34665.883613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34665.883613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.628546 (E_RNA) where: Base-Base interactions energy: -72.685 where: short stacking energy: -21.924 Base-Backbone interact. energy: -0.000 local terms energy: -23.943530 where: bonds (distance) C4'-P energy: -1.098 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: 0.210 tors. eta vs tors. theta energy: -5.904 Dist. restrs. and SS energy: -34569.255 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -34790.361280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34790.361280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.729107 (E_RNA) where: Base-Base interactions energy: -51.141 where: short stacking energy: -18.216 Base-Backbone interact. energy: -0.017 local terms energy: -18.570478 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.677 flat angles P-C4'-P energy: -1.247 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: -34720.632 (S_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: 227 Temperature: 1.300000 Total energy: -34535.596072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34535.596072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.573144 (E_RNA) where: Base-Base interactions energy: -55.639 where: short stacking energy: -27.110 Base-Backbone interact. energy: -0.238 local terms energy: -29.696335 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: -34450.023 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -34671.799941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34671.799941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.264486 (E_RNA) where: Base-Base interactions energy: -61.940 where: short stacking energy: -32.131 Base-Backbone interact. energy: -0.000 local terms energy: -33.324202 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -8.783 Dist. restrs. and SS energy: -34576.535 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -36436.152547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36436.152547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.570047 (E_RNA) where: Base-Base interactions energy: -63.405 where: short stacking energy: -27.591 Base-Backbone interact. energy: -0.003 local terms energy: -28.162515 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: -36344.583 (S_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: 228 Temperature: 0.950000 Total energy: -35468.757340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35468.757340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.618491 (E_RNA) where: Base-Base interactions energy: -63.721 where: short stacking energy: -31.589 Base-Backbone interact. energy: -0.359 local terms energy: -35.537874 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -6.441 Dist. restrs. and SS energy: -35369.139 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -35238.682831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35238.682831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.075098 (E_RNA) where: Base-Base interactions energy: -70.667 where: short stacking energy: -32.297 Base-Backbone interact. energy: -0.851 local terms energy: -27.556422 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -1.081 tors. eta vs tors. theta energy: -7.205 Dist. restrs. and SS energy: -35139.608 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -35087.770529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35087.770529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.361315 (E_RNA) where: Base-Base interactions energy: -67.800 where: short stacking energy: -34.480 Base-Backbone interact. energy: -0.043 local terms energy: -36.519008 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -8.991 Dist. restrs. and SS energy: -34983.409 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -34893.879335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34893.879335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.341569 (E_RNA) where: Base-Base interactions energy: -66.347 where: short stacking energy: -28.983 Base-Backbone interact. energy: -0.000 local terms energy: -32.994721 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: -34794.538 (S_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: 228 Temperature: 1.150000 Total energy: -34861.550735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34861.550735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.606191 (E_RNA) where: Base-Base interactions energy: -60.325 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.008 local terms energy: -24.273154 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.483 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -1.005 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: -34776.945 (S_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: 228 Temperature: 1.200000 Total energy: -35068.139565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35068.139565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.817269 (E_RNA) where: Base-Base interactions energy: -60.099 where: short stacking energy: -22.048 Base-Backbone interact. energy: -0.060 local terms energy: -31.657996 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: -34976.322 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -34817.558894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34817.558894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.687807 (E_RNA) where: Base-Base interactions energy: -59.478 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.001 local terms energy: -28.209064 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -3.240 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: -34729.871 (S_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: 228 Temperature: 1.300000 Total energy: -34861.759622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34861.759622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.921090 (E_RNA) where: Base-Base interactions energy: -58.140 where: short stacking energy: -28.550 Base-Backbone interact. energy: -0.001 local terms energy: -32.780020 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -6.606 Dist. restrs. and SS energy: -34770.839 (S_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: 228 Temperature: 1.350000 Total energy: -34712.697932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34712.697932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.620299 (E_RNA) where: Base-Base interactions energy: -64.864 where: short stacking energy: -23.773 Base-Backbone interact. energy: -0.298 local terms energy: -26.458096 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: -34621.078 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -36643.035245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36643.035245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.061098 (E_RNA) where: Base-Base interactions energy: -68.149 where: short stacking energy: -29.420 Base-Backbone interact. energy: -0.028 local terms energy: -23.883696 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -7.368 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -0.305 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: -36550.974 (S_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: 229 Temperature: 0.950000 Total energy: -35575.118890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35575.118890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.959594 (E_RNA) where: Base-Base interactions energy: -75.800 where: short stacking energy: -16.773 Base-Backbone interact. energy: -1.157 local terms energy: -17.002558 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -0.049 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: -35481.159 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -35334.219962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35334.219962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.409134 (E_RNA) where: Base-Base interactions energy: -58.076 where: short stacking energy: -18.614 Base-Backbone interact. energy: -0.006 local terms energy: -24.327593 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -6.956 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: -35251.811 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -35195.579254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35195.579254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.258243 (E_RNA) where: Base-Base interactions energy: -65.726 where: short stacking energy: -26.347 Base-Backbone interact. energy: -0.001 local terms energy: -33.531160 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: -35096.321 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -35029.852104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35029.852104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.895413 (E_RNA) where: Base-Base interactions energy: -63.014 where: short stacking energy: -27.913 Base-Backbone interact. energy: -1.624 local terms energy: -32.257294 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -7.127 Dist. restrs. and SS energy: -34932.957 (S_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: 229 Temperature: 1.150000 Total energy: -35214.784084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35214.784084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.746047 (E_RNA) where: Base-Base interactions energy: -57.929 where: short stacking energy: -25.356 Base-Backbone interact. energy: -1.091 local terms energy: -20.726307 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -1.065 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: -35135.038 (S_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: 229 Temperature: 1.200000 Total energy: -35013.703679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35013.703679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.281592 (E_RNA) where: Base-Base interactions energy: -59.437 where: short stacking energy: -21.456 Base-Backbone interact. energy: -0.028 local terms energy: -24.816222 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -6.255 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: -34929.422 (S_DIST_RNA) chem. 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: -35001.534359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35001.534359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.689242 (E_RNA) where: Base-Base interactions energy: -67.367 where: short stacking energy: -31.269 Base-Backbone interact. energy: -0.000 local terms energy: -33.322385 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -7.827 Dist. restrs. and SS energy: -34900.845 (S_DIST_RNA) chem. 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: -34967.827956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34967.827956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.597394 (E_RNA) where: Base-Base interactions energy: -66.388 where: short stacking energy: -34.144 Base-Backbone interact. energy: -0.000 local terms energy: -24.209582 where: bonds (distance) C4'-P energy: -4.342 bonds (distance) P-C4' energy: -2.847 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: -34877.231 (S_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: 229 Temperature: 1.350000 Total energy: -34905.870177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34905.870177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.877806 (E_RNA) where: Base-Base interactions energy: -61.815 where: short stacking energy: -27.420 Base-Backbone interact. energy: -0.015 local terms energy: -29.048480 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: -34814.992 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -36847.113591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36847.113591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.242024 (E_RNA) where: Base-Base interactions energy: -66.340 where: short stacking energy: -28.361 Base-Backbone interact. energy: 1.620 local terms energy: -31.522247 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: -36750.872 (S_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: 230 Temperature: 0.950000 Total energy: -35666.277883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35666.277883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.836601 (E_RNA) where: Base-Base interactions energy: -65.762 where: short stacking energy: -23.976 Base-Backbone interact. energy: -0.327 local terms energy: -26.747639 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: -35573.441 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -35448.668213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35448.668213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.816735 (E_RNA) where: Base-Base interactions energy: -65.059 where: short stacking energy: -23.979 Base-Backbone interact. energy: -0.003 local terms energy: -30.754500 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.741 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -6.485 Dist. restrs. and SS energy: -35352.851 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -35304.120845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35304.120845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.839933 (E_RNA) where: Base-Base interactions energy: -66.260 where: short stacking energy: -33.684 Base-Backbone interact. energy: -0.039 local terms energy: -32.540748 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -8.678 Dist. restrs. and SS energy: -35205.281 (S_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: 230 Temperature: 1.100000 Total energy: -35391.656486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35391.656486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.237757 (E_RNA) where: Base-Base interactions energy: -62.363 where: short stacking energy: -32.923 Base-Backbone interact. energy: -0.303 local terms energy: -32.571347 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -8.805 Dist. restrs. and SS energy: -35296.419 (S_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: 230 Temperature: 1.150000 Total energy: -35147.300022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35147.300022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.677924 (E_RNA) where: Base-Base interactions energy: -59.896 where: short stacking energy: -27.567 Base-Backbone interact. energy: -0.009 local terms energy: -29.772661 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: -35057.622 (S_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: 230 Temperature: 1.200000 Total energy: -35155.930763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35155.930763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.897822 (E_RNA) where: Base-Base interactions energy: -68.532 where: short stacking energy: -30.461 Base-Backbone interact. energy: -0.001 local terms energy: -27.365490 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -3.776 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: -35060.033 (S_DIST_RNA) chem. 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: -35130.735326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35130.735326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.770082 (E_RNA) where: Base-Base interactions energy: -62.744 where: short stacking energy: -30.115 Base-Backbone interact. energy: -0.449 local terms energy: -29.576818 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -1.518 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: -35037.965 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -35126.794983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35126.794983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.327916 (E_RNA) where: Base-Base interactions energy: -66.306 where: short stacking energy: -22.462 Base-Backbone interact. energy: -0.004 local terms energy: -25.018592 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: 1.342 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: -35035.467 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -35090.364012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35090.364012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.170581 (E_RNA) where: Base-Base interactions energy: -61.868 where: short stacking energy: -28.311 Base-Backbone interact. energy: -0.809 local terms energy: -28.494020 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -4.491 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -7.205 Dist. restrs. and SS energy: -34999.193 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -37012.665303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37012.665303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.699169 (E_RNA) where: Base-Base interactions energy: -64.349 where: short stacking energy: -26.209 Base-Backbone interact. energy: -0.025 local terms energy: -31.325083 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: -36916.966 (S_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: 231 Temperature: 0.950000 Total energy: -35778.334612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35778.334612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.131771 (E_RNA) where: Base-Base interactions energy: -72.546 where: short stacking energy: -27.121 Base-Backbone interact. energy: -0.624 local terms energy: -27.962092 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -0.934 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: -35677.203 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -35536.266472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35536.266472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.236843 (E_RNA) where: Base-Base interactions energy: -61.784 where: short stacking energy: -31.387 Base-Backbone interact. energy: -0.000 local terms energy: -35.452563 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -8.282 Dist. restrs. and SS energy: -35439.030 (S_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: 231 Temperature: 1.050000 Total energy: -35511.065202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35511.065202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.079356 (E_RNA) where: Base-Base interactions energy: -67.567 where: short stacking energy: -35.813 Base-Backbone interact. energy: -0.268 local terms energy: -35.243809 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: -35407.986 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -35424.108411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35424.108411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.899994 (E_RNA) where: Base-Base interactions energy: -69.206 where: short stacking energy: -29.543 Base-Backbone interact. energy: -0.002 local terms energy: -32.692242 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -6.386 Dist. restrs. and SS energy: -35322.208 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -35294.781679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35294.781679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.727404 (E_RNA) where: Base-Base interactions energy: -62.055 where: short stacking energy: -22.898 Base-Backbone interact. energy: -0.004 local terms energy: -25.668236 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: 1.075 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: -35207.054 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -35287.334242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35287.334242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.687449 (E_RNA) where: Base-Base interactions energy: -63.286 where: short stacking energy: -25.374 Base-Backbone interact. energy: -0.495 local terms energy: -28.906679 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: -35194.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -35314.904683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35314.904683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.193873 (E_RNA) where: Base-Base interactions energy: -60.859 where: short stacking energy: -30.078 Base-Backbone interact. energy: -0.001 local terms energy: -24.334224 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: 0.137 tors. eta vs tors. theta energy: -8.112 Dist. restrs. and SS energy: -35229.711 (S_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: 231 Temperature: 1.300000 Total energy: -35288.885901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35288.885901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.714156 (E_RNA) where: Base-Base interactions energy: -65.199 where: short stacking energy: -23.058 Base-Backbone interact. energy: -0.008 local terms energy: -26.507942 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: -35197.172 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -35283.046909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35283.046909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.652321 (E_RNA) where: Base-Base interactions energy: -55.273 where: short stacking energy: -20.465 Base-Backbone interact. energy: 0.669 local terms energy: -25.047616 where: bonds (distance) C4'-P energy: -4.102 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -1.656 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: -35203.395 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -37234.134919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37234.134919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.246450 (E_RNA) where: Base-Base interactions energy: -73.543 where: short stacking energy: -31.309 Base-Backbone interact. energy: 1.244 local terms energy: -26.947940 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.778 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: -37134.888 (S_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: 232 Temperature: 0.950000 Total energy: -35888.300079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35888.300079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.793329 (E_RNA) where: Base-Base interactions energy: -70.295 where: short stacking energy: -31.081 Base-Backbone interact. energy: -0.448 local terms energy: -35.050494 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -9.206 Dist. restrs. and SS energy: -35782.507 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -35657.989610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35657.989610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.924111 (E_RNA) where: Base-Base interactions energy: -72.702 where: short stacking energy: -38.747 Base-Backbone interact. energy: -0.220 local terms energy: -29.002129 where: bonds (distance) C4'-P energy: -5.240 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: -35556.065 (S_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: 232 Temperature: 1.050000 Total energy: -35645.271627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35645.271627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.538919 (E_RNA) where: Base-Base interactions energy: -68.134 where: short stacking energy: -32.571 Base-Backbone interact. energy: -0.000 local terms energy: -33.404587 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: -35543.733 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -35548.838740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35548.838740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.025954 (E_RNA) where: Base-Base interactions energy: -61.165 where: short stacking energy: -25.559 Base-Backbone interact. energy: -0.045 local terms energy: -31.816105 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: -35455.813 (S_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: 232 Temperature: 1.150000 Total energy: -35417.924679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35417.924679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.978704 (E_RNA) where: Base-Base interactions energy: -65.674 where: short stacking energy: -29.775 Base-Backbone interact. energy: -0.001 local terms energy: -30.304293 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.446 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -0.334 tors. eta vs tors. theta energy: -8.766 Dist. restrs. and SS energy: -35321.946 (S_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: 232 Temperature: 1.200000 Total energy: -35467.199230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35467.199230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.097963 (E_RNA) where: Base-Base interactions energy: -52.870 where: short stacking energy: -19.791 Base-Backbone interact. energy: 0.239 local terms energy: -30.466741 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: -35384.101 (S_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: 232 Temperature: 1.250000 Total energy: -35454.001250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35454.001250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.902599 (E_RNA) where: Base-Base interactions energy: -63.179 where: short stacking energy: -25.394 Base-Backbone interact. energy: -0.002 local terms energy: -27.721348 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -5.013 Dist. restrs. and SS energy: -35363.099 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -35503.424941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35503.424941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.849629 (E_RNA) where: Base-Base interactions energy: -61.327 where: short stacking energy: -26.147 Base-Backbone interact. energy: -0.100 local terms energy: -19.422941 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: 3.026 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: -35422.575 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -35446.561350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35446.561350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.651317 (E_RNA) where: Base-Base interactions energy: -63.436 where: short stacking energy: -18.182 Base-Backbone interact. energy: -0.001 local terms energy: -30.215087 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: -35352.910 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -37444.601954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37444.601954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.226618 (E_RNA) where: Base-Base interactions energy: -66.016 where: short stacking energy: -26.223 Base-Backbone interact. energy: -0.056 local terms energy: -27.154843 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -5.347 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: -37351.375 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -35989.454474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35989.454474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.560385 (E_RNA) where: Base-Base interactions energy: -68.716 where: short stacking energy: -28.359 Base-Backbone interact. energy: -0.011 local terms energy: -29.833173 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: -35890.894 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -35757.577216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35757.577216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.522882 (E_RNA) where: Base-Base interactions energy: -57.737 where: short stacking energy: -26.968 Base-Backbone interact. energy: -0.854 local terms energy: -31.931814 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -7.195 Dist. restrs. and SS energy: -35667.054 (S_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: 233 Temperature: 1.050000 Total energy: -35769.576953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35769.576953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.063873 (E_RNA) where: Base-Base interactions energy: -64.052 where: short stacking energy: -27.960 Base-Backbone interact. energy: -0.638 local terms energy: -28.373234 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: -35676.513 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -35676.114430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35676.114430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.358384 (E_RNA) where: Base-Base interactions energy: -68.509 where: short stacking energy: -30.446 Base-Backbone interact. energy: -0.000 local terms energy: -30.849387 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -7.135 Dist. restrs. and SS energy: -35576.756 (S_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: 233 Temperature: 1.150000 Total energy: -35680.022753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35680.022753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.678325 (E_RNA) where: Base-Base interactions energy: -63.712 where: short stacking energy: -27.195 Base-Backbone interact. energy: -0.000 local terms energy: -26.965756 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -0.397 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: -35589.344 (S_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: 233 Temperature: 1.200000 Total energy: -35541.731298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35541.731298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.810703 (E_RNA) where: Base-Base interactions energy: -55.893 where: short stacking energy: -27.939 Base-Backbone interact. energy: -1.146 local terms energy: -23.771274 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: 0.563 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: -35460.921 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -35742.772797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35742.772797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.058073 (E_RNA) where: Base-Base interactions energy: -50.526 where: short stacking energy: -13.430 Base-Backbone interact. energy: -0.026 local terms energy: -25.505929 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: -35666.715 (S_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: 233 Temperature: 1.300000 Total energy: -35601.416451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35601.416451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.630246 (E_RNA) where: Base-Base interactions energy: -60.576 where: short stacking energy: -21.249 Base-Backbone interact. energy: -0.007 local terms energy: -21.047013 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -0.222 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: -35519.786 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -35618.597190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35618.597190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.225634 (E_RNA) where: Base-Base interactions energy: -63.970 where: short stacking energy: -23.117 Base-Backbone interact. energy: -1.190 local terms energy: -19.065687 where: bonds (distance) C4'-P energy: -1.942 bonds (distance) P-C4' energy: -3.797 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: -35534.372 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -37656.802360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37656.802360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.230033 (E_RNA) where: Base-Base interactions energy: -67.117 where: short stacking energy: -31.150 Base-Backbone interact. energy: -0.014 local terms energy: -31.099462 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: -37558.572 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -36087.156807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36087.156807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.808199 (E_RNA) where: Base-Base interactions energy: -68.072 where: short stacking energy: -32.091 Base-Backbone interact. energy: -0.043 local terms energy: -32.693037 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: -35986.349 (S_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: 234 Temperature: 1.000000 Total energy: -35872.920816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35872.920816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.867254 (E_RNA) where: Base-Base interactions energy: -63.969 where: short stacking energy: -32.160 Base-Backbone interact. energy: -0.000 local terms energy: -32.897754 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -1.285 tors. eta vs tors. theta energy: -8.176 Dist. restrs. and SS energy: -35776.054 (S_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: 234 Temperature: 1.050000 Total energy: -35847.001901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35847.001901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.750236 (E_RNA) where: Base-Base interactions energy: -63.889 where: short stacking energy: -26.473 Base-Backbone interact. energy: -0.176 local terms energy: -32.685794 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: -35750.252 (S_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: 234 Temperature: 1.100000 Total energy: -35812.017513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35812.017513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.787399 (E_RNA) where: Base-Base interactions energy: -65.864 where: short stacking energy: -28.178 Base-Backbone interact. energy: -0.005 local terms energy: -32.917811 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: -35713.230 (S_DIST_RNA) chem. 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: -35783.853330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35783.853330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.339955 (E_RNA) where: Base-Base interactions energy: -64.813 where: short stacking energy: -31.257 Base-Backbone interact. energy: -0.054 local terms energy: -31.472846 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: -35687.513 (S_DIST_RNA) chem. 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: -35908.818172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35908.818172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.687504 (E_RNA) where: Base-Base interactions energy: -60.162 where: short stacking energy: -26.836 Base-Backbone interact. energy: -0.003 local terms energy: -30.522805 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: -35818.131 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -35700.845664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35700.845664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.954083 (E_RNA) where: Base-Base interactions energy: -66.546 where: short stacking energy: -27.887 Base-Backbone interact. energy: 0.064 local terms energy: -30.471596 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: -35603.892 (S_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: 234 Temperature: 1.300000 Total energy: -35770.377668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35770.377668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.542523 (E_RNA) where: Base-Base interactions energy: -63.568 where: short stacking energy: -34.456 Base-Backbone interact. energy: -0.001 local terms energy: -28.974017 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -0.716 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: -35677.835 (S_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: 234 Temperature: 1.350000 Total energy: -35756.583058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35756.583058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.770482 (E_RNA) where: Base-Base interactions energy: -55.272 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.000 local terms energy: -28.498541 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -4.097 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -1.702 tors. eta vs tors. theta energy: -6.730 Dist. restrs. and SS energy: -35672.813 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -37900.500364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37900.500364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.248031 (E_RNA) where: Base-Base interactions energy: -62.227 where: short stacking energy: -20.572 Base-Backbone interact. energy: -0.275 local terms energy: -25.745396 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: -37812.252 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -36171.132153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36171.132153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.387280 (E_RNA) where: Base-Base interactions energy: -65.574 where: short stacking energy: -26.482 Base-Backbone interact. energy: -0.006 local terms energy: -36.807292 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -4.833 Dist. restrs. and SS energy: -36068.745 (S_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: 235 Temperature: 1.000000 Total energy: -35992.030241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35992.030241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.035075 (E_RNA) where: Base-Base interactions energy: -69.229 where: short stacking energy: -34.756 Base-Backbone interact. energy: -0.156 local terms energy: -31.650134 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -8.688 Dist. restrs. and SS energy: -35890.995 (S_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: 235 Temperature: 1.050000 Total energy: -35930.746334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35930.746334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.164359 (E_RNA) where: Base-Base interactions energy: -65.104 where: short stacking energy: -28.814 Base-Backbone interact. energy: -0.000 local terms energy: -33.060746 where: bonds (distance) C4'-P energy: -6.643 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -9.299 Dist. restrs. and SS energy: -35832.582 (S_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: 235 Temperature: 1.100000 Total energy: -35963.794361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35963.794361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.124225 (E_RNA) where: Base-Base interactions energy: -60.157 where: short stacking energy: -26.444 Base-Backbone interact. energy: 0.079 local terms energy: -21.046958 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.082 flat angles C4'-P-C4' energy: -1.311 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -2.238 Dist. restrs. and SS energy: -35882.670 (S_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: 235 Temperature: 1.150000 Total energy: -36061.077573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36061.077573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.721978 (E_RNA) where: Base-Base interactions energy: -62.033 where: short stacking energy: -30.151 Base-Backbone interact. energy: -0.470 local terms energy: -28.219087 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -0.477 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: -35970.356 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -35959.633440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35959.633440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.258570 (E_RNA) where: Base-Base interactions energy: -64.185 where: short stacking energy: -26.509 Base-Backbone interact. energy: -0.144 local terms energy: -30.929172 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: -35864.375 (S_DIST_RNA) chem. 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: -35917.339491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35917.339491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.105151 (E_RNA) where: Base-Base interactions energy: -61.767 where: short stacking energy: -31.041 Base-Backbone interact. energy: -0.001 local terms energy: -28.336870 where: bonds (distance) C4'-P energy: -2.964 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: -35827.234 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -35847.389388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35847.389388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.315507 (E_RNA) where: Base-Base interactions energy: -59.427 where: short stacking energy: -22.117 Base-Backbone interact. energy: -0.011 local terms energy: -25.877312 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: -35762.074 (S_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: 235 Temperature: 1.350000 Total energy: -35915.567227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35915.567227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.914647 (E_RNA) where: Base-Base interactions energy: -64.507 where: short stacking energy: -27.663 Base-Backbone interact. energy: 0.765 local terms energy: -19.172694 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -3.110 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -0.398 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: -35832.653 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -38149.696808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38149.696808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.598572 (E_RNA) where: Base-Base interactions energy: -59.546 where: short stacking energy: -19.105 Base-Backbone interact. energy: 2.631 local terms energy: -26.683141 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: -38066.098 (S_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: 236 Temperature: 0.950000 Total energy: -36244.204608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36244.204608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.918082 (E_RNA) where: Base-Base interactions energy: -67.294 where: short stacking energy: -23.226 Base-Backbone interact. energy: -0.355 local terms energy: -34.268802 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: -36142.287 (S_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: 236 Temperature: 1.000000 Total energy: -36123.595597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36123.595597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.099926 (E_RNA) where: Base-Base interactions energy: -71.723 where: short stacking energy: -34.160 Base-Backbone interact. energy: -0.000 local terms energy: -31.376898 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -7.535 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: -36020.496 (S_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: 236 Temperature: 1.050000 Total energy: -36072.630360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36072.630360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.538860 (E_RNA) where: Base-Base interactions energy: -66.674 where: short stacking energy: -28.066 Base-Backbone interact. energy: -0.000 local terms energy: -30.864440 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -8.878 Dist. restrs. and SS energy: -35975.091 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -36229.293751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36229.293751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.035205 (E_RNA) where: Base-Base interactions energy: -67.358 where: short stacking energy: -23.513 Base-Backbone interact. energy: 1.080 local terms energy: -25.757790 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: -36137.259 (S_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: 236 Temperature: 1.150000 Total energy: -36088.405168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36088.405168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.011229 (E_RNA) where: Base-Base interactions energy: -63.803 where: short stacking energy: -36.027 Base-Backbone interact. energy: -0.000 local terms energy: -35.207615 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -9.586 Dist. restrs. and SS energy: -35989.394 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -36095.481191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36095.481191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.937496 (E_RNA) where: Base-Base interactions energy: -61.502 where: short stacking energy: -22.617 Base-Backbone interact. energy: -0.005 local terms energy: -26.430389 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -3.023 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -6.278 Dist. restrs. and SS energy: -36007.544 (S_DIST_RNA) chem. 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: -36080.142551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36080.142551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.604082 (E_RNA) where: Base-Base interactions energy: -67.708 where: short stacking energy: -34.402 Base-Backbone interact. energy: -0.000 local terms energy: -30.895778 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -6.345 Dist. restrs. and SS energy: -35981.538 (S_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: 236 Temperature: 1.300000 Total energy: -36054.961879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36054.961879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.149821 (E_RNA) where: Base-Base interactions energy: -48.324 where: short stacking energy: -19.179 Base-Backbone interact. energy: -0.064 local terms energy: -24.761324 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: -35981.812 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -35989.722637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35989.722637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.378001 (E_RNA) where: Base-Base interactions energy: -66.830 where: short stacking energy: -23.262 Base-Backbone interact. energy: -0.033 local terms energy: -20.514762 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -4.662 flat angles C4'-P-C4' energy: -1.355 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -4.325 Dist. restrs. and SS energy: -35902.345 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -38390.397538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38390.397538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.738199 (E_RNA) where: Base-Base interactions energy: -66.917 where: short stacking energy: -29.976 Base-Backbone interact. energy: -0.171 local terms energy: -29.650276 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: -38293.659 (S_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: 237 Temperature: 0.950000 Total energy: -36343.963748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36343.963748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.029144 (E_RNA) where: Base-Base interactions energy: -67.503 where: short stacking energy: -30.558 Base-Backbone interact. energy: -0.001 local terms energy: -32.525498 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -6.247 Dist. restrs. and SS energy: -36243.935 (S_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: 237 Temperature: 1.000000 Total energy: -36239.503172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36239.503172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.330134 (E_RNA) where: Base-Base interactions energy: -67.897 where: short stacking energy: -32.917 Base-Backbone interact. energy: -0.001 local terms energy: -32.432127 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -6.135 Dist. restrs. and SS energy: -36139.173 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -36349.100908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36349.100908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.513909 (E_RNA) where: Base-Base interactions energy: -61.665 where: short stacking energy: -19.905 Base-Backbone interact. energy: -0.020 local terms energy: -29.828329 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: -36257.587 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -36188.183471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36188.183471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.092535 (E_RNA) where: Base-Base interactions energy: -67.565 where: short stacking energy: -24.777 Base-Backbone interact. energy: -0.000 local terms energy: -30.527681 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -5.400 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: -36090.091 (S_DIST_RNA) chem. 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: -36270.644828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36270.644828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.344570 (E_RNA) where: Base-Base interactions energy: -60.662 where: short stacking energy: -27.139 Base-Backbone interact. energy: -0.936 local terms energy: -29.746616 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -5.055 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -6.477 Dist. restrs. and SS energy: -36179.300 (S_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: 237 Temperature: 1.200000 Total energy: -36248.820904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36248.820904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.443124 (E_RNA) where: Base-Base interactions energy: -69.368 where: short stacking energy: -24.065 Base-Backbone interact. energy: -0.001 local terms energy: -27.074235 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -2.504 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: -36152.378 (S_DIST_RNA) chem. 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: -36236.891863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36236.891863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.437278 (E_RNA) where: Base-Base interactions energy: -63.264 where: short stacking energy: -22.716 Base-Backbone interact. energy: -0.006 local terms energy: -24.168232 where: bonds (distance) C4'-P energy: -1.735 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -7.828 Dist. restrs. and SS energy: -36149.455 (S_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: 237 Temperature: 1.300000 Total energy: -36245.853110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36245.853110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.385873 (E_RNA) where: Base-Base interactions energy: -50.841 where: short stacking energy: -22.352 Base-Backbone interact. energy: -0.011 local terms energy: -30.533085 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: -36164.467 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -36154.150656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36154.150656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.772669 (E_RNA) where: Base-Base interactions energy: -54.103 where: short stacking energy: -22.042 Base-Backbone interact. energy: 0.056 local terms energy: -33.726280 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: -36066.378 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -38624.056034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38624.056034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.356327 (E_RNA) where: Base-Base interactions energy: -69.468 where: short stacking energy: -28.894 Base-Backbone interact. energy: -0.383 local terms energy: -30.505341 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.873 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: -38523.700 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -36450.639729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36450.639729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.023085 (E_RNA) where: Base-Base interactions energy: -68.360 where: short stacking energy: -29.016 Base-Backbone interact. energy: 1.108 local terms energy: -31.770512 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: -36351.617 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -36452.162647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36452.162647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.782748 (E_RNA) where: Base-Base interactions energy: -68.615 where: short stacking energy: -23.560 Base-Backbone interact. energy: -0.003 local terms energy: -28.164556 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: -36355.380 (S_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: 238 Temperature: 1.050000 Total energy: -36321.768551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36321.768551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.641087 (E_RNA) where: Base-Base interactions energy: -64.436 where: short stacking energy: -22.215 Base-Backbone interact. energy: -0.040 local terms energy: -31.164296 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: -36226.127 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -36397.628821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36397.628821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.801959 (E_RNA) where: Base-Base interactions energy: -63.938 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.123 local terms energy: -28.741399 where: bonds (distance) C4'-P energy: -2.891 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -5.971 Dist. restrs. and SS energy: -36304.827 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -36305.400754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36305.400754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.257319 (E_RNA) where: Base-Base interactions energy: -60.581 where: short stacking energy: -22.750 Base-Backbone interact. energy: -0.086 local terms energy: -23.590299 where: bonds (distance) C4'-P energy: -3.230 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: -36221.143 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -36367.904292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36367.904292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.052749 (E_RNA) where: Base-Base interactions energy: -60.510 where: short stacking energy: -30.465 Base-Backbone interact. energy: -0.001 local terms energy: -33.541306 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -6.904 Dist. restrs. and SS energy: -36273.852 (S_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: 238 Temperature: 1.250000 Total energy: -36411.023721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36411.023721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.035559 (E_RNA) where: Base-Base interactions energy: -63.321 where: short stacking energy: -21.254 Base-Backbone interact. energy: -0.003 local terms energy: -24.711229 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -8.703 flat angles P-C4'-P energy: 1.791 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: -36322.988 (S_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: 238 Temperature: 1.300000 Total energy: -36410.438194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36410.438194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.889029 (E_RNA) where: Base-Base interactions energy: -52.768 where: short stacking energy: -20.167 Base-Backbone interact. energy: -0.687 local terms energy: -30.433773 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -4.913 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: -36326.549 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -36355.943192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36355.943192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.357004 (E_RNA) where: Base-Base interactions energy: -66.837 where: short stacking energy: -21.267 Base-Backbone interact. energy: -0.004 local terms energy: -25.516763 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -0.799 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: -36263.586 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -38840.801596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38840.801596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.745823 (E_RNA) where: Base-Base interactions energy: -63.121 where: short stacking energy: -23.484 Base-Backbone interact. energy: -0.237 local terms energy: -24.387778 where: bonds (distance) C4'-P energy: -5.344 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: 0.092 Dist. restrs. and SS energy: -38753.056 (S_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: 239 Temperature: 0.950000 Total energy: -36592.978054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36592.978054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.000907 (E_RNA) where: Base-Base interactions energy: -60.712 where: short stacking energy: -17.703 Base-Backbone interact. energy: -0.011 local terms energy: -31.278211 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -1.866 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: -36500.977 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -36555.846675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36555.846675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.336734 (E_RNA) where: Base-Base interactions energy: -72.678 where: short stacking energy: -28.358 Base-Backbone interact. energy: -0.003 local terms energy: -30.655763 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: -36452.510 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -36509.404632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36509.404632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.622792 (E_RNA) where: Base-Base interactions energy: -70.990 where: short stacking energy: -26.752 Base-Backbone interact. energy: -0.174 local terms energy: -22.458788 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: 2.316 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: -36415.782 (S_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: 239 Temperature: 1.100000 Total energy: -36459.339225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36459.339225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.146055 (E_RNA) where: Base-Base interactions energy: -68.198 where: short stacking energy: -34.494 Base-Backbone interact. energy: -0.000 local terms energy: -31.947372 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -7.212 Dist. restrs. and SS energy: -36359.193 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -36496.768480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36496.768480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.058304 (E_RNA) where: Base-Base interactions energy: -72.376 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.008 local terms energy: -31.674293 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: -36392.710 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -36450.377712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36450.377712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.787367 (E_RNA) where: Base-Base interactions energy: -58.970 where: short stacking energy: -22.405 Base-Backbone interact. energy: -0.641 local terms energy: -20.176859 where: bonds (distance) C4'-P energy: -1.716 bonds (distance) P-C4' energy: -3.508 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: -36370.590 (S_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: 239 Temperature: 1.250000 Total energy: -36600.129754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36600.129754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.365239 (E_RNA) where: Base-Base interactions energy: -59.258 where: short stacking energy: -29.174 Base-Backbone interact. energy: -0.000 local terms energy: -28.107150 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -0.498 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: -36512.765 (S_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: 239 Temperature: 1.300000 Total energy: -36644.675431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36644.675431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.153816 (E_RNA) where: Base-Base interactions energy: -54.577 where: short stacking energy: -24.191 Base-Backbone interact. energy: -0.070 local terms energy: -25.507064 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -2.282 Dist. restrs. and SS energy: -36564.522 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -36516.633067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36516.633067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.198973 (E_RNA) where: Base-Base interactions energy: -66.229 where: short stacking energy: -35.768 Base-Backbone interact. energy: 1.389 local terms energy: -36.358653 where: bonds (distance) C4'-P energy: -4.770 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -9.520 Dist. restrs. and SS energy: -36415.434 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -39036.935425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39036.935425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.835737 (E_RNA) where: Base-Base interactions energy: -69.569 where: short stacking energy: -29.109 Base-Backbone interact. energy: -0.545 local terms energy: -27.721901 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: -38939.100 (S_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: 240 Temperature: 0.950000 Total energy: -36736.473900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36736.473900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.754120 (E_RNA) where: Base-Base interactions energy: -73.338 where: short stacking energy: -25.940 Base-Backbone interact. energy: -0.253 local terms energy: -31.163516 where: bonds (distance) C4'-P energy: -6.062 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -8.029 Dist. restrs. and SS energy: -36631.720 (S_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: 240 Temperature: 1.000000 Total energy: -36655.385190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36655.385190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.883392 (E_RNA) where: Base-Base interactions energy: -67.397 where: short stacking energy: -26.014 Base-Backbone interact. energy: -0.369 local terms energy: -34.117873 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: -36553.502 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -36615.830959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36615.830959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.407828 (E_RNA) where: Base-Base interactions energy: -64.001 where: short stacking energy: -25.980 Base-Backbone interact. energy: 0.138 local terms energy: -25.544868 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.092 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: -36526.423 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -36654.777242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36654.777242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.678341 (E_RNA) where: Base-Base interactions energy: -58.333 where: short stacking energy: -17.932 Base-Backbone interact. energy: -0.024 local terms energy: -31.321346 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -1.090 tors. eta vs tors. theta energy: -8.946 Dist. restrs. and SS energy: -36565.099 (S_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: 240 Temperature: 1.150000 Total energy: -36602.536098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36602.536098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.079733 (E_RNA) where: Base-Base interactions energy: -62.775 where: short stacking energy: -25.887 Base-Backbone interact. energy: -0.082 local terms energy: -30.222570 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: -36509.456 (S_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: 240 Temperature: 1.200000 Total energy: -36757.740805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36757.740805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.745244 (E_RNA) where: Base-Base interactions energy: -56.096 where: short stacking energy: -22.861 Base-Backbone interact. energy: -0.100 local terms energy: -32.549386 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: -36668.996 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -36600.155437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36600.155437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.891054 (E_RNA) where: Base-Base interactions energy: -60.684 where: short stacking energy: -23.643 Base-Backbone interact. energy: -0.010 local terms energy: -29.196277 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -7.705 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: -36510.264 (S_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: 240 Temperature: 1.300000 Total energy: -36812.246713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36812.246713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.829274 (E_RNA) where: Base-Base interactions energy: -56.941 where: short stacking energy: -27.384 Base-Backbone interact. energy: 0.447 local terms energy: -31.334349 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: -36724.417 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -36684.674246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36684.674246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.300515 (E_RNA) where: Base-Base interactions energy: -60.991 where: short stacking energy: -27.657 Base-Backbone interact. energy: -0.052 local terms energy: -22.257596 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: 0.709 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: -36601.374 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -39217.998532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39217.998532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.109531 (E_RNA) where: Base-Base interactions energy: -67.687 where: short stacking energy: -31.018 Base-Backbone interact. energy: -0.016 local terms energy: -26.406316 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: -39123.889 (S_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: 241 Temperature: 0.950000 Total energy: -36841.543882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36841.543882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.089301 (E_RNA) where: Base-Base interactions energy: -68.452 where: short stacking energy: -33.710 Base-Backbone interact. energy: -0.000 local terms energy: -31.637457 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.375 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -8.301 Dist. restrs. and SS energy: -36741.455 (S_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: 241 Temperature: 1.000000 Total energy: -36742.904057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36742.904057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.418639 (E_RNA) where: Base-Base interactions energy: -67.470 where: short stacking energy: -19.175 Base-Backbone interact. energy: -0.000 local terms energy: -28.948374 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: -36646.485 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -36779.038781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36779.038781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.767366 (E_RNA) where: Base-Base interactions energy: -63.929 where: short stacking energy: -30.573 Base-Backbone interact. energy: -0.551 local terms energy: -32.287869 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: -36682.271 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -36737.858768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36737.858768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.024661 (E_RNA) where: Base-Base interactions energy: -56.269 where: short stacking energy: -21.548 Base-Backbone interact. energy: -0.006 local terms energy: -34.750112 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -6.930 Dist. restrs. and SS energy: -36646.834 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -36877.342868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36877.342868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.109408 (E_RNA) where: Base-Base interactions energy: -58.931 where: short stacking energy: -24.629 Base-Backbone interact. energy: -1.620 local terms energy: -28.557799 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: -36788.233 (S_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: 241 Temperature: 1.200000 Total energy: -36738.985236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36738.985236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.873495 (E_RNA) where: Base-Base interactions energy: -60.952 where: short stacking energy: -32.393 Base-Backbone interact. energy: -0.008 local terms energy: -28.913304 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -8.637 Dist. restrs. and SS energy: -36649.112 (S_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: 241 Temperature: 1.250000 Total energy: -37006.861473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37006.861473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.558629 (E_RNA) where: Base-Base interactions energy: -61.341 where: short stacking energy: -31.774 Base-Backbone interact. energy: -0.000 local terms energy: -31.217669 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -1.592 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -7.979 Dist. restrs. and SS energy: -36914.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -36774.907387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36774.907387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.869674 (E_RNA) where: Base-Base interactions energy: -70.823 where: short stacking energy: -27.654 Base-Backbone interact. energy: -0.026 local terms energy: -22.021037 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: 3.580 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: -36682.038 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -36992.367172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36992.367172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.636648 (E_RNA) where: Base-Base interactions energy: -61.645 where: short stacking energy: -24.561 Base-Backbone interact. energy: -0.002 local terms energy: -30.990349 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: -36899.731 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -39449.043680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39449.043680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.013337 (E_RNA) where: Base-Base interactions energy: -71.941 where: short stacking energy: -31.005 Base-Backbone interact. energy: 2.151 local terms energy: -28.223395 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: -39351.030 (S_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: 242 Temperature: 0.950000 Total energy: -36939.420616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36939.420616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.560416 (E_RNA) where: Base-Base interactions energy: -71.126 where: short stacking energy: -33.694 Base-Backbone interact. energy: -0.635 local terms energy: -35.799119 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -9.084 Dist. restrs. and SS energy: -36831.860 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -36902.398335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36902.398335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.359551 (E_RNA) where: Base-Base interactions energy: -75.978 where: short stacking energy: -27.073 Base-Backbone interact. energy: -0.007 local terms energy: -29.374473 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -9.084 flat angles P-C4'-P energy: -1.982 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: -36797.039 (S_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: 242 Temperature: 1.050000 Total energy: -36846.953890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36846.953890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.582589 (E_RNA) where: Base-Base interactions energy: -77.146 where: short stacking energy: -21.566 Base-Backbone interact. energy: -0.014 local terms energy: -30.422488 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -0.956 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: -36739.371 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -37033.846883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37033.846883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.425645 (E_RNA) where: Base-Base interactions energy: -65.976 where: short stacking energy: -24.565 Base-Backbone interact. energy: -0.001 local terms energy: -34.448806 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: -36933.421 (S_DIST_RNA) chem. 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: -36856.122350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36856.122350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.927641 (E_RNA) where: Base-Base interactions energy: -67.758 where: short stacking energy: -35.093 Base-Backbone interact. energy: -0.001 local terms energy: -35.168543 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: -36753.195 (S_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: 242 Temperature: 1.200000 Total energy: -37145.020529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37145.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.387114 (E_RNA) where: Base-Base interactions energy: -66.177 where: short stacking energy: -29.193 Base-Backbone interact. energy: -0.009 local terms energy: -28.201040 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: -37050.633 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -36887.437691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36887.437691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.997676 (E_RNA) where: Base-Base interactions energy: -55.838 where: short stacking energy: -23.486 Base-Backbone interact. energy: 0.602 local terms energy: -29.761527 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -2.461 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: -36802.440 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -37175.360636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37175.360636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.739919 (E_RNA) where: Base-Base interactions energy: -62.969 where: short stacking energy: -25.255 Base-Backbone interact. energy: -0.002 local terms energy: -31.768598 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: -37080.621 (S_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: 242 Temperature: 1.350000 Total energy: -36928.751604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36928.751604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.718458 (E_RNA) where: Base-Base interactions energy: -56.307 where: short stacking energy: -23.351 Base-Backbone interact. energy: -0.000 local terms energy: -31.410692 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -7.946 Dist. restrs. and SS energy: -36841.033 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -39662.883772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39662.883772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.173376 (E_RNA) where: Base-Base interactions energy: -62.819 where: short stacking energy: -23.349 Base-Backbone interact. energy: -0.106 local terms energy: -32.247709 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: -39567.710 (S_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: 243 Temperature: 0.950000 Total energy: -37038.261568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37038.261568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.539765 (E_RNA) where: Base-Base interactions energy: -65.506 where: short stacking energy: -26.247 Base-Backbone interact. energy: -0.003 local terms energy: -30.031380 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -6.908 Dist. restrs. and SS energy: -36942.722 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -36990.873187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36990.873187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.127779 (E_RNA) where: Base-Base interactions energy: -59.570 where: short stacking energy: -23.500 Base-Backbone interact. energy: -0.538 local terms energy: -32.020588 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: -36898.745 (S_DIST_RNA) chem. 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: -37135.433730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37135.433730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.835233 (E_RNA) where: Base-Base interactions energy: -63.045 where: short stacking energy: -33.060 Base-Backbone interact. energy: 0.261 local terms energy: -36.051748 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -9.026 Dist. restrs. and SS energy: -37036.598 (S_DIST_RNA) chem. 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: -36954.007700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36954.007700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.366803 (E_RNA) where: Base-Base interactions energy: -59.957 where: short stacking energy: -27.883 Base-Backbone interact. energy: -0.050 local terms energy: -30.359839 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -1.687 tors. eta vs tors. theta energy: -5.340 Dist. restrs. and SS energy: -36863.641 (S_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: 243 Temperature: 1.150000 Total energy: -37268.672544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37268.672544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.293980 (E_RNA) where: Base-Base interactions energy: -68.040 where: short stacking energy: -19.263 Base-Backbone interact. energy: -0.000 local terms energy: -33.253884 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: -37167.379 (S_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: 243 Temperature: 1.200000 Total energy: -36992.976020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36992.976020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.449698 (E_RNA) where: Base-Base interactions energy: -63.119 where: short stacking energy: -31.258 Base-Backbone interact. energy: -0.379 local terms energy: -31.952307 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -8.203 Dist. restrs. and SS energy: -36897.526 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -37318.952472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37318.952472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.082638 (E_RNA) where: Base-Base interactions energy: -62.444 where: short stacking energy: -33.311 Base-Backbone interact. energy: -0.000 local terms energy: -34.638897 where: bonds (distance) C4'-P energy: -2.848 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -9.215 Dist. restrs. and SS energy: -37221.870 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -37041.981279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37041.981279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.108386 (E_RNA) where: Base-Base interactions energy: -64.043 where: short stacking energy: -24.273 Base-Backbone interact. energy: -0.158 local terms energy: -23.907556 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: -36953.873 (S_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: 243 Temperature: 1.350000 Total energy: -37069.680128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37069.680128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.245037 (E_RNA) where: Base-Base interactions energy: -56.081 where: short stacking energy: -19.314 Base-Backbone interact. energy: -0.006 local terms energy: -26.158386 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: -36987.435 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -39839.913584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39839.913584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.488558 (E_RNA) where: Base-Base interactions energy: -67.346 where: short stacking energy: -27.697 Base-Backbone interact. energy: 0.152 local terms energy: -30.295257 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: -39742.425 (S_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: 244 Temperature: 0.950000 Total energy: -37121.815939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37121.815939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.580440 (E_RNA) where: Base-Base interactions energy: -65.230 where: short stacking energy: -29.618 Base-Backbone interact. energy: -0.685 local terms energy: -32.665493 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -4.315 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -8.478 Dist. restrs. and SS energy: -37023.235 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -37242.527972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37242.527972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.540694 (E_RNA) where: Base-Base interactions energy: -65.436 where: short stacking energy: -23.293 Base-Backbone interact. energy: -0.002 local terms energy: -29.102418 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: -37147.987 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -37130.318372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37130.318372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.738771 (E_RNA) where: Base-Base interactions energy: -66.444 where: short stacking energy: -30.068 Base-Backbone interact. energy: -0.394 local terms energy: -33.901437 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -6.560 Dist. restrs. and SS energy: -37029.580 (S_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: 244 Temperature: 1.100000 Total energy: -37435.773024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37435.773024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.825413 (E_RNA) where: Base-Base interactions energy: -70.227 where: short stacking energy: -22.976 Base-Backbone interact. energy: -0.004 local terms energy: -29.594607 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: -37335.948 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -37071.122932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37071.122932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.675979 (E_RNA) where: Base-Base interactions energy: -69.737 where: short stacking energy: -27.293 Base-Backbone interact. energy: -0.079 local terms energy: -28.859812 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: -36972.447 (S_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: 244 Temperature: 1.200000 Total energy: -37446.863614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37446.863614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.455389 (E_RNA) where: Base-Base interactions energy: -61.194 where: short stacking energy: -25.613 Base-Backbone interact. energy: -0.820 local terms energy: -33.441165 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: -37351.408 (S_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: 244 Temperature: 1.250000 Total energy: -37147.449534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37147.449534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.836575 (E_RNA) where: Base-Base interactions energy: -63.250 where: short stacking energy: -32.391 Base-Backbone interact. energy: -0.001 local terms energy: -29.585820 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -2.588 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: -37054.613 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -37267.687332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37267.687332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.996007 (E_RNA) where: Base-Base interactions energy: -67.461 where: short stacking energy: -22.800 Base-Backbone interact. energy: -0.003 local terms energy: -27.532600 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: -37172.691 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -37177.027345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37177.027345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.274970 (E_RNA) where: Base-Base interactions energy: -63.004 where: short stacking energy: -27.434 Base-Backbone interact. energy: -0.063 local terms energy: -23.208436 where: bonds (distance) C4'-P energy: -3.085 bonds (distance) P-C4' energy: -3.924 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: -37090.752 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -40093.851770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40093.851770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.049390 (E_RNA) where: Base-Base interactions energy: -66.655 where: short stacking energy: -26.461 Base-Backbone interact. energy: 0.263 local terms energy: -24.657299 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -4.267 Dist. restrs. and SS energy: -40002.802 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -37353.252091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37353.252091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.440141 (E_RNA) where: Base-Base interactions energy: -63.990 where: short stacking energy: -26.106 Base-Backbone interact. energy: -1.707 local terms energy: -31.742865 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: -37255.812 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -37233.275771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37233.275771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.216692 (E_RNA) where: Base-Base interactions energy: -63.918 where: short stacking energy: -27.762 Base-Backbone interact. energy: -0.002 local terms energy: -31.296276 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -7.108 Dist. restrs. and SS energy: -37138.059 (S_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: 245 Temperature: 1.050000 Total energy: -37549.576858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37549.576858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.527206 (E_RNA) where: Base-Base interactions energy: -63.932 where: short stacking energy: -23.614 Base-Backbone interact. energy: -0.001 local terms energy: -29.594203 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -7.151 Dist. restrs. and SS energy: -37456.050 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -37223.088949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37223.088949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.843715 (E_RNA) where: Base-Base interactions energy: -60.947 where: short stacking energy: -30.235 Base-Backbone interact. energy: 0.399 local terms energy: -29.295826 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -5.553 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: -37133.245 (S_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: 245 Temperature: 1.150000 Total energy: -37562.970265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37562.970265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.886834 (E_RNA) where: Base-Base interactions energy: -62.945 where: short stacking energy: -23.794 Base-Backbone interact. energy: -0.005 local terms energy: -21.936008 where: bonds (distance) C4'-P energy: -4.074 bonds (distance) P-C4' energy: -6.062 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: 0.275 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: -37478.083 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -37221.134424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37221.134424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.970711 (E_RNA) where: Base-Base interactions energy: -61.650 where: short stacking energy: -27.363 Base-Backbone interact. energy: -0.480 local terms energy: -25.840211 where: bonds (distance) C4'-P energy: -2.343 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -6.150 Dist. restrs. and SS energy: -37133.164 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -37450.050353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37450.050353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.811257 (E_RNA) where: Base-Base interactions energy: -53.210 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.029 local terms energy: -30.572365 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: -37366.239 (S_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: 245 Temperature: 1.300000 Total energy: -37311.127404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37311.127404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.089308 (E_RNA) where: Base-Base interactions energy: -66.184 where: short stacking energy: -33.188 Base-Backbone interact. energy: -0.000 local terms energy: -29.905055 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -5.242 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -8.077 Dist. restrs. and SS energy: -37215.038 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -37348.601035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37348.601035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.728155 (E_RNA) where: Base-Base interactions energy: -67.822 where: short stacking energy: -32.369 Base-Backbone interact. energy: -0.000 local terms energy: -22.906465 where: bonds (distance) C4'-P energy: -0.865 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: 0.202 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: -37257.873 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -40276.942379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40276.942379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.972355 (E_RNA) where: Base-Base interactions energy: -60.026 where: short stacking energy: -26.851 Base-Backbone interact. energy: -0.068 local terms energy: -34.879042 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: -40181.970 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -37491.020125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37491.020125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.887312 (E_RNA) where: Base-Base interactions energy: -68.137 where: short stacking energy: -31.990 Base-Backbone interact. energy: -0.000 local terms energy: -33.750156 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -8.877 Dist. restrs. and SS energy: -37389.133 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -37643.138212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37643.138212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.081339 (E_RNA) where: Base-Base interactions energy: -66.402 where: short stacking energy: -28.854 Base-Backbone interact. energy: -0.312 local terms energy: -30.367280 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: -37546.057 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -37362.604947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37362.604947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.811356 (E_RNA) where: Base-Base interactions energy: -64.312 where: short stacking energy: -28.050 Base-Backbone interact. energy: -0.007 local terms energy: -29.492804 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -5.977 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: -37268.794 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -37680.295598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37680.295598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.685958 (E_RNA) where: Base-Base interactions energy: -63.586 where: short stacking energy: -28.589 Base-Backbone interact. energy: -0.913 local terms energy: -31.186678 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: -37584.610 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -37340.972065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37340.972065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.607724 (E_RNA) where: Base-Base interactions energy: -66.425 where: short stacking energy: -21.964 Base-Backbone interact. energy: -0.008 local terms energy: -25.174613 where: bonds (distance) C4'-P energy: -5.006 bonds (distance) P-C4' energy: -5.300 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: -37249.364 (S_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: 246 Temperature: 1.200000 Total energy: -37859.247302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37859.247302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.067483 (E_RNA) where: Base-Base interactions energy: -63.771 where: short stacking energy: -19.949 Base-Backbone interact. energy: -0.169 local terms energy: -21.127965 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -2.692 flat angles P-C4'-P energy: -1.554 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: -37774.180 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -37355.742404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37355.742404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.145277 (E_RNA) where: Base-Base interactions energy: -64.872 where: short stacking energy: -25.894 Base-Backbone interact. energy: -0.076 local terms energy: -29.197241 where: bonds (distance) C4'-P energy: -3.605 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -6.948 Dist. restrs. and SS energy: -37261.597 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -37543.274992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37543.274992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.028805 (E_RNA) where: Base-Base interactions energy: -61.578 where: short stacking energy: -31.748 Base-Backbone interact. energy: -0.000 local terms energy: -30.450201 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.279 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -8.759 Dist. restrs. and SS energy: -37451.246 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -37491.881592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37491.881592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.048934 (E_RNA) where: Base-Base interactions energy: -61.173 where: short stacking energy: -26.459 Base-Backbone interact. energy: -0.114 local terms energy: -26.761877 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: -37403.833 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -40394.436211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40394.436211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.916009 (E_RNA) where: Base-Base interactions energy: -68.610 where: short stacking energy: -35.064 Base-Backbone interact. energy: -0.179 local terms energy: -37.127204 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -9.601 Dist. restrs. and SS energy: -40288.520 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -37757.601077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37757.601077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.730799 (E_RNA) where: Base-Base interactions energy: -61.766 where: short stacking energy: -22.876 Base-Backbone interact. energy: -0.011 local terms energy: -28.953344 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: -37666.870 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -37598.715059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37598.715059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.746424 (E_RNA) where: Base-Base interactions energy: -66.610 where: short stacking energy: -33.325 Base-Backbone interact. energy: -0.153 local terms energy: -39.983247 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -9.451 Dist. restrs. and SS energy: -37491.969 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -37795.358889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37795.358889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.048789 (E_RNA) where: Base-Base interactions energy: -67.318 where: short stacking energy: -28.735 Base-Backbone interact. energy: -0.851 local terms energy: -32.879999 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: -9.195 Dist. restrs. and SS energy: -37694.310 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -37478.031619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37478.031619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.666473 (E_RNA) where: Base-Base interactions energy: -63.657 where: short stacking energy: -22.890 Base-Backbone interact. energy: -0.001 local terms energy: -33.008634 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: -37381.365 (S_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: 247 Temperature: 1.150000 Total energy: -38358.936387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38358.936387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.713919 (E_RNA) where: Base-Base interactions energy: -64.142 where: short stacking energy: -29.174 Base-Backbone interact. energy: -0.005 local terms energy: -26.567530 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -0.873 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -7.956 Dist. restrs. and SS energy: -38268.222 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -37513.281759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37513.281759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.591399 (E_RNA) where: Base-Base interactions energy: -56.439 where: short stacking energy: -24.179 Base-Backbone interact. energy: -0.598 local terms energy: -29.554768 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: -37426.690 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -37689.451285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37689.451285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.079549 (E_RNA) where: Base-Base interactions energy: -63.465 where: short stacking energy: -27.094 Base-Backbone interact. energy: -0.487 local terms energy: -26.127851 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.010 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -5.447 Dist. restrs. and SS energy: -37599.372 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -37526.926757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37526.926757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.029431 (E_RNA) where: Base-Base interactions energy: -61.033 where: short stacking energy: -27.997 Base-Backbone interact. energy: -0.025 local terms energy: -27.972095 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -4.602 Dist. restrs. and SS energy: -37437.897 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -37655.246614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37655.246614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.100978 (E_RNA) where: Base-Base interactions energy: -57.147 where: short stacking energy: -22.616 Base-Backbone interact. energy: -0.013 local terms energy: -24.940304 where: bonds (distance) C4'-P energy: -2.653 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: -37573.146 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -40490.331908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40490.331908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.648517 (E_RNA) where: Base-Base interactions energy: -64.016 where: short stacking energy: -29.048 Base-Backbone interact. energy: -1.444 local terms energy: -35.188329 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: -40389.683 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -37887.862591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37887.862591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.523712 (E_RNA) where: Base-Base interactions energy: -71.535 where: short stacking energy: -28.971 Base-Backbone interact. energy: -0.166 local terms energy: -29.822623 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -6.761 Dist. restrs. and SS energy: -37786.339 (S_DIST_RNA) chem. 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: -37888.768256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37888.768256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.154000 (E_RNA) where: Base-Base interactions energy: -66.996 where: short stacking energy: -26.883 Base-Backbone interact. energy: -0.001 local terms energy: -30.157367 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -5.198 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: -37791.614 (S_DIST_RNA) chem. 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: -37692.727116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37692.727116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.134064 (E_RNA) where: Base-Base interactions energy: -63.753 where: short stacking energy: -33.814 Base-Backbone interact. energy: -1.416 local terms energy: -32.965551 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -8.259 Dist. restrs. and SS energy: -37594.593 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -38488.387801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38488.387801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.663342 (E_RNA) where: Base-Base interactions energy: -67.289 where: short stacking energy: -24.562 Base-Backbone interact. energy: -0.002 local terms energy: -31.372466 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: -38389.724 (S_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: 248 Temperature: 1.150000 Total energy: -37592.159574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37592.159574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.662795 (E_RNA) where: Base-Base interactions energy: -68.433 where: short stacking energy: -31.003 Base-Backbone interact. energy: -0.387 local terms energy: -30.843523 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -7.996 Dist. restrs. and SS energy: -37492.497 (S_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: 248 Temperature: 1.200000 Total energy: -37858.467904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37858.467904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.372881 (E_RNA) where: Base-Base interactions energy: -66.356 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.369 local terms energy: -25.648454 where: bonds (distance) C4'-P energy: -4.412 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -0.928 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: -37766.095 (S_DIST_RNA) chem. 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: -37666.049537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37666.049537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.060317 (E_RNA) where: Base-Base interactions energy: -58.071 where: short stacking energy: -20.841 Base-Backbone interact. energy: -0.637 local terms energy: -28.352027 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: -37578.989 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -37840.875451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37840.875451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.374446 (E_RNA) where: Base-Base interactions energy: -67.066 where: short stacking energy: -17.670 Base-Backbone interact. energy: -0.527 local terms energy: -23.780886 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: -37749.501 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -37754.958373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37754.958373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.287606 (E_RNA) where: Base-Base interactions energy: -57.435 where: short stacking energy: -27.731 Base-Backbone interact. energy: -0.000 local terms energy: -28.852388 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: -37668.671 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -40579.303474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40579.303474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.874523 (E_RNA) where: Base-Base interactions energy: -67.147 where: short stacking energy: -33.781 Base-Backbone interact. energy: -0.908 local terms energy: -34.819257 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -8.929 Dist. restrs. and SS energy: -40476.429 (S_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: 249 Temperature: 0.950000 Total energy: -38003.167032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38003.167032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.860335 (E_RNA) where: Base-Base interactions energy: -63.677 where: short stacking energy: -30.754 Base-Backbone interact. energy: -0.000 local terms energy: -38.183519 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -9.187 Dist. restrs. and SS energy: -37901.307 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -38002.118697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38002.118697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.733394 (E_RNA) where: Base-Base interactions energy: -67.436 where: short stacking energy: -23.331 Base-Backbone interact. energy: -0.056 local terms energy: -29.240901 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -0.452 tors. eta vs tors. theta energy: -6.144 Dist. restrs. and SS energy: -37905.385 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -38595.620501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38595.620501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.230284 (E_RNA) where: Base-Base interactions energy: -71.794 where: short stacking energy: -34.365 Base-Backbone interact. energy: -0.000 local terms energy: -30.435403 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: -38493.390 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -37811.766086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37811.766086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.429826 (E_RNA) where: Base-Base interactions energy: -59.620 where: short stacking energy: -31.817 Base-Backbone interact. energy: -1.058 local terms energy: -34.751524 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -8.258 Dist. restrs. and SS energy: -37716.336 (S_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: 249 Temperature: 1.150000 Total energy: -38010.177375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38010.177375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.558175 (E_RNA) where: Base-Base interactions energy: -62.624 where: short stacking energy: -28.740 Base-Backbone interact. energy: -0.797 local terms energy: -29.137413 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: -37917.619 (S_DIST_RNA) chem. 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: -37710.954803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37710.954803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.298632 (E_RNA) where: Base-Base interactions energy: -62.554 where: short stacking energy: -26.417 Base-Backbone interact. energy: -0.712 local terms energy: -31.033326 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -4.720 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: -37616.656 (S_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: 249 Temperature: 1.250000 Total energy: -37984.041847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37984.041847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.201172 (E_RNA) where: Base-Base interactions energy: -56.346 where: short stacking energy: -22.700 Base-Backbone interact. energy: 0.423 local terms energy: -30.278509 where: bonds (distance) C4'-P energy: -6.494 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: -37897.841 (S_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: -37817.768111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37817.768111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.788918 (E_RNA) where: Base-Base interactions energy: -51.053 where: short stacking energy: -19.868 Base-Backbone interact. energy: -0.684 local terms energy: -28.051654 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: -37737.979 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -37917.665163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37917.665163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.275917 (E_RNA) where: Base-Base interactions energy: -57.472 where: short stacking energy: -29.878 Base-Backbone interact. energy: -0.001 local terms energy: -24.803082 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: -37835.389 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -40672.039930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40672.039930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.447770 (E_RNA) where: Base-Base interactions energy: -65.260 where: short stacking energy: -34.154 Base-Backbone interact. energy: -0.002 local terms energy: -33.185798 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -8.443 Dist. restrs. and SS energy: -40573.592 (S_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: 250 Temperature: 0.950000 Total energy: -38095.721310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38095.721310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.651038 (E_RNA) where: Base-Base interactions energy: -66.459 where: short stacking energy: -33.975 Base-Backbone interact. energy: -0.000 local terms energy: -33.191745 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: 0.008 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: -37996.070 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -38707.609335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38707.609335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.319032 (E_RNA) where: Base-Base interactions energy: -68.124 where: short stacking energy: -37.011 Base-Backbone interact. energy: 0.135 local terms energy: -30.330678 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.286 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -9.105 Dist. restrs. and SS energy: -38609.290 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -38104.000693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38104.000693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.131851 (E_RNA) where: Base-Base interactions energy: -61.135 where: short stacking energy: -28.605 Base-Backbone interact. energy: -0.095 local terms energy: -32.901441 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: -38009.869 (S_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: 250 Temperature: 1.100000 Total energy: -38134.120044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38134.120044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.078681 (E_RNA) where: Base-Base interactions energy: -62.771 where: short stacking energy: -32.621 Base-Backbone interact. energy: -0.156 local terms energy: -33.151214 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -7.524 Dist. restrs. and SS energy: -38038.041 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -37961.123056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37961.123056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.171660 (E_RNA) where: Base-Base interactions energy: -64.286 where: short stacking energy: -33.398 Base-Backbone interact. energy: -0.001 local terms energy: -32.884062 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: -37863.951 (S_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: 250 Temperature: 1.200000 Total energy: -38093.287343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38093.287343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.902245 (E_RNA) where: Base-Base interactions energy: -77.221 where: short stacking energy: -25.162 Base-Backbone interact. energy: -0.102 local terms energy: -25.579867 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -6.376 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: -37990.385 (S_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: 250 Temperature: 1.250000 Total energy: -37837.118074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37837.118074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.377848 (E_RNA) where: Base-Base interactions energy: -67.596 where: short stacking energy: -30.730 Base-Backbone interact. energy: -0.001 local terms energy: -27.781772 where: bonds (distance) C4'-P energy: -2.413 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -7.315 Dist. restrs. and SS energy: -37741.740 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -38096.636404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38096.636404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.774634 (E_RNA) where: Base-Base interactions energy: -50.816 where: short stacking energy: -19.856 Base-Backbone interact. energy: -0.045 local terms energy: -25.914001 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: -38019.862 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -38085.161826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38085.161826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.985688 (E_RNA) where: Base-Base interactions energy: -52.709 where: short stacking energy: -26.186 Base-Backbone interact. energy: -0.002 local terms energy: -31.274085 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -1.584 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: -38001.176 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -40797.210465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40797.210465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.308996 (E_RNA) where: Base-Base interactions energy: -61.656 where: short stacking energy: -25.997 Base-Backbone interact. energy: -0.000 local terms energy: -33.652503 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: -40701.901 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -38819.275391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38819.275391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.115519 (E_RNA) where: Base-Base interactions energy: -62.539 where: short stacking energy: -27.383 Base-Backbone interact. energy: -0.685 local terms energy: -36.891559 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -8.680 Dist. restrs. and SS energy: -38719.160 (S_DIST_RNA) chem. 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: -38211.395051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38211.395051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.058433 (E_RNA) where: Base-Base interactions energy: -58.554 where: short stacking energy: -29.650 Base-Backbone interact. energy: -0.452 local terms energy: -35.051868 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -7.916 Dist. restrs. and SS energy: -38117.337 (S_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: 251 Temperature: 1.050000 Total energy: -38252.486347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38252.486347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.979998 (E_RNA) where: Base-Base interactions energy: -61.130 where: short stacking energy: -22.848 Base-Backbone interact. energy: -0.906 local terms energy: -26.944019 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: -38163.506 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -38194.909191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38194.909191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.909855 (E_RNA) where: Base-Base interactions energy: -60.388 where: short stacking energy: -25.396 Base-Backbone interact. energy: -0.045 local terms energy: -25.477691 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.085 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: -38108.999 (S_DIST_RNA) chem. 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: -38242.815542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38242.815542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.448244 (E_RNA) where: Base-Base interactions energy: -65.377 where: short stacking energy: -36.579 Base-Backbone interact. energy: -0.449 local terms energy: -30.622541 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -1.626 tors. eta vs tors. theta energy: -8.841 Dist. restrs. and SS energy: -38146.367 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -38109.316521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38109.316521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.424892 (E_RNA) where: Base-Base interactions energy: -61.543 where: short stacking energy: -22.993 Base-Backbone interact. energy: -0.460 local terms energy: -29.422480 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -5.987 Dist. restrs. and SS energy: -38017.892 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -38316.834299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38316.834299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.672804 (E_RNA) where: Base-Base interactions energy: -62.986 where: short stacking energy: -23.209 Base-Backbone interact. energy: 0.367 local terms energy: -31.053647 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: -38223.161 (S_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: 251 Temperature: 1.300000 Total energy: -38011.319073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38011.319073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.191923 (E_RNA) where: Base-Base interactions energy: -56.669 where: short stacking energy: -19.078 Base-Backbone interact. energy: -0.186 local terms energy: -28.337195 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: 0.608 Dist. restrs. and SS energy: -37926.127 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -38351.471553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38351.471553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.621127 (E_RNA) where: Base-Base interactions energy: -57.018 where: short stacking energy: -27.821 Base-Backbone interact. energy: -0.002 local terms energy: -27.601118 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: 0.433 tors. eta vs tors. theta energy: -7.412 Dist. restrs. and SS energy: -38266.850 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -40963.838746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40963.838746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.419191 (E_RNA) where: Base-Base interactions energy: -62.704 where: short stacking energy: -29.370 Base-Backbone interact. energy: -1.054 local terms energy: -36.661113 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: -40863.420 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -38922.212495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38922.212495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.426027 (E_RNA) where: Base-Base interactions energy: -66.177 where: short stacking energy: -28.842 Base-Backbone interact. energy: -0.000 local terms energy: -34.248672 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -9.195 Dist. restrs. and SS energy: -38821.786 (S_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: 252 Temperature: 1.000000 Total energy: -38364.028492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38364.028492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.639558 (E_RNA) where: Base-Base interactions energy: -65.230 where: short stacking energy: -29.803 Base-Backbone interact. energy: -0.152 local terms energy: -33.257067 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: -38265.389 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -38347.420209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38347.420209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.985274 (E_RNA) where: Base-Base interactions energy: -65.817 where: short stacking energy: -31.347 Base-Backbone interact. energy: -0.975 local terms energy: -35.193018 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: -38245.435 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -38365.523131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38365.523131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.371599 (E_RNA) where: Base-Base interactions energy: -68.843 where: short stacking energy: -27.030 Base-Backbone interact. energy: -0.003 local terms energy: -30.525315 where: bonds (distance) C4'-P energy: -6.126 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: -38266.152 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -38330.845554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38330.845554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.895128 (E_RNA) where: Base-Base interactions energy: -65.002 where: short stacking energy: -27.676 Base-Backbone interact. energy: -0.002 local terms energy: -31.891399 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -1.600 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: -38233.950 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -38433.412089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38433.412089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.963382 (E_RNA) where: Base-Base interactions energy: -56.133 where: short stacking energy: -22.521 Base-Backbone interact. energy: -0.284 local terms energy: -33.546254 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -5.619 Dist. restrs. and SS energy: -38343.449 (S_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: 252 Temperature: 1.250000 Total energy: -38259.389090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38259.389090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.705428 (E_RNA) where: Base-Base interactions energy: -64.116 where: short stacking energy: -27.898 Base-Backbone interact. energy: -0.003 local terms energy: -26.586207 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: -38168.684 (S_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: -38505.667880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38505.667880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.961485 (E_RNA) where: Base-Base interactions energy: -65.269 where: short stacking energy: -24.471 Base-Backbone interact. energy: -0.278 local terms energy: -23.413923 where: bonds (distance) C4'-P energy: -2.305 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: -38416.706 (S_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: 252 Temperature: 1.350000 Total energy: -38313.068613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38313.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.382441 (E_RNA) where: Base-Base interactions energy: -46.039 where: short stacking energy: -19.132 Base-Backbone interact. energy: -0.018 local terms energy: -18.326107 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -1.630 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: -38248.686 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -41110.297302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41110.297302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.579971 (E_RNA) where: Base-Base interactions energy: -64.921 where: short stacking energy: -35.651 Base-Backbone interact. energy: -0.003 local terms energy: -36.656747 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -9.176 Dist. restrs. and SS energy: -41008.717 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -39033.348545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39033.348545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.792567 (E_RNA) where: Base-Base interactions energy: -66.764 where: short stacking energy: -34.469 Base-Backbone interact. energy: -0.000 local terms energy: -35.027718 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: -38931.556 (S_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: 253 Temperature: 1.000000 Total energy: -38484.451971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38484.451971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.513590 (E_RNA) where: Base-Base interactions energy: -68.180 where: short stacking energy: -32.609 Base-Backbone interact. energy: -0.000 local terms energy: -38.333586 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: -38377.938 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -38480.638617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38480.638617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.589774 (E_RNA) where: Base-Base interactions energy: -69.466 where: short stacking energy: -36.690 Base-Backbone interact. energy: -0.385 local terms energy: -33.739495 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -0.729 tors. eta vs tors. theta energy: -8.311 Dist. restrs. and SS energy: -38377.049 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -38461.449306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38461.449306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.784391 (E_RNA) where: Base-Base interactions energy: -59.791 where: short stacking energy: -32.277 Base-Backbone interact. energy: -0.000 local terms energy: -35.993459 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -8.467 Dist. restrs. and SS energy: -38365.665 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -38541.131901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38541.131901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.542808 (E_RNA) where: Base-Base interactions energy: -62.377 where: short stacking energy: -24.766 Base-Backbone interact. energy: -0.004 local terms energy: -27.161872 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -6.167 Dist. restrs. and SS energy: -38451.589 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -38479.588714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38479.588714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.004690 (E_RNA) where: Base-Base interactions energy: -59.215 where: short stacking energy: -26.228 Base-Backbone interact. energy: -0.085 local terms energy: -30.704770 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.817 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: -38389.584 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -38743.670035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38743.670035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.890834 (E_RNA) where: Base-Base interactions energy: -59.283 where: short stacking energy: -27.759 Base-Backbone interact. energy: -0.440 local terms energy: -23.168286 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: -38660.779 (S_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: 253 Temperature: 1.300000 Total energy: -38452.754059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38452.754059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.385904 (E_RNA) where: Base-Base interactions energy: -67.669 where: short stacking energy: -19.710 Base-Backbone interact. energy: -0.002 local terms energy: -27.714964 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: -38357.368 (S_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: 253 Temperature: 1.350000 Total energy: -38765.529457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38765.529457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.087108 (E_RNA) where: Base-Base interactions energy: -50.803 where: short stacking energy: -23.403 Base-Backbone interact. energy: -0.096 local terms energy: -20.188088 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: 0.988 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: -38694.442 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -41196.205876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41196.205876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.942936 (E_RNA) where: Base-Base interactions energy: -65.255 where: short stacking energy: -33.756 Base-Backbone interact. energy: -0.511 local terms energy: -34.177576 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -6.219 Dist. restrs. and SS energy: -41096.263 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -39125.399648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39125.399648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.445239 (E_RNA) where: Base-Base interactions energy: -62.345 where: short stacking energy: -24.903 Base-Backbone interact. energy: -1.379 local terms energy: -31.720869 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.060 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: -39029.954 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -38602.940096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38602.940096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.544352 (E_RNA) where: Base-Base interactions energy: -59.532 where: short stacking energy: -28.579 Base-Backbone interact. energy: -1.506 local terms energy: -35.506799 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: -38506.396 (S_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: 254 Temperature: 1.050000 Total energy: -38607.302297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38607.302297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.906370 (E_RNA) where: Base-Base interactions energy: -67.109 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.876 local terms energy: -30.920792 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -5.524 Dist. restrs. and SS energy: -38508.396 (S_DIST_RNA) chem. 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: -38646.084253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38646.084253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.881972 (E_RNA) where: Base-Base interactions energy: -61.788 where: short stacking energy: -32.325 Base-Backbone interact. energy: -0.405 local terms energy: -27.689186 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.834 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -0.368 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: -38556.202 (S_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: 254 Temperature: 1.150000 Total energy: -38607.744204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38607.744204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.805575 (E_RNA) where: Base-Base interactions energy: -67.455 where: short stacking energy: -22.470 Base-Backbone interact. energy: -0.115 local terms energy: -32.235128 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -1.907 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: -38507.939 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -38867.918962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38867.918962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.284156 (E_RNA) where: Base-Base interactions energy: -61.850 where: short stacking energy: -28.074 Base-Backbone interact. energy: -0.378 local terms energy: -25.056424 where: bonds (distance) C4'-P energy: -4.078 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -1.312 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: -38780.635 (S_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: 254 Temperature: 1.250000 Total energy: -38641.495168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38641.495168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.817231 (E_RNA) where: Base-Base interactions energy: -64.408 where: short stacking energy: -30.990 Base-Backbone interact. energy: -0.685 local terms energy: -23.724597 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -4.907 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: -38552.678 (S_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: 254 Temperature: 1.300000 Total energy: -39047.104300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39047.104300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.496066 (E_RNA) where: Base-Base interactions energy: -65.479 where: short stacking energy: -28.926 Base-Backbone interact. energy: -0.000 local terms energy: -31.016273 where: bonds (distance) C4'-P energy: -5.652 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -1.969 tors. eta vs tors. theta energy: -7.421 Dist. restrs. and SS energy: -38950.608 (S_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: 254 Temperature: 1.350000 Total energy: -38658.755575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38658.755575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.142759 (E_RNA) where: Base-Base interactions energy: -72.743 where: short stacking energy: -24.976 Base-Backbone interact. energy: -0.007 local terms energy: -22.393414 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: 0.823 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: -38563.613 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -41315.046852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41315.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.076211 (E_RNA) where: Base-Base interactions energy: -64.820 where: short stacking energy: -32.971 Base-Backbone interact. energy: -0.002 local terms energy: -38.254180 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: -41211.971 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -39234.296012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39234.296012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.619823 (E_RNA) where: Base-Base interactions energy: -66.593 where: short stacking energy: -34.882 Base-Backbone interact. energy: -0.907 local terms energy: -36.119627 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.393 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: -39130.676 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -38739.617141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38739.617141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.867931 (E_RNA) where: Base-Base interactions energy: -64.984 where: short stacking energy: -31.636 Base-Backbone interact. energy: -0.166 local terms energy: -38.717849 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -9.186 Dist. restrs. and SS energy: -38635.749 (S_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: 255 Temperature: 1.050000 Total energy: -38772.724815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38772.724815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.599393 (E_RNA) where: Base-Base interactions energy: -70.217 where: short stacking energy: -30.673 Base-Backbone interact. energy: -0.001 local terms energy: -34.381520 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -8.280 Dist. restrs. and SS energy: -38668.125 (S_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: 255 Temperature: 1.100000 Total energy: -38735.094733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38735.094733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.891374 (E_RNA) where: Base-Base interactions energy: -63.155 where: short stacking energy: -27.880 Base-Backbone interact. energy: -0.908 local terms energy: -30.828669 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: -38640.203 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -39008.751870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39008.751870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.311665 (E_RNA) where: Base-Base interactions energy: -65.196 where: short stacking energy: -24.751 Base-Backbone interact. energy: -0.101 local terms energy: -25.014937 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -4.644 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -2.019 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: -38918.440 (S_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: 255 Temperature: 1.200000 Total energy: -38735.506704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38735.506704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.102752 (E_RNA) where: Base-Base interactions energy: -62.481 where: short stacking energy: -28.723 Base-Backbone interact. energy: -0.013 local terms energy: -27.608457 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -2.052 tors. eta vs tors. theta energy: -8.236 Dist. restrs. and SS energy: -38645.404 (S_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: 255 Temperature: 1.250000 Total energy: -39184.511008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39184.511008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.743131 (E_RNA) where: Base-Base interactions energy: -57.691 where: short stacking energy: -28.486 Base-Backbone interact. energy: -0.000 local terms energy: -32.051714 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -6.796 Dist. restrs. and SS energy: -39094.768 (S_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: 255 Temperature: 1.300000 Total energy: -38812.694146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38812.694146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.134613 (E_RNA) where: Base-Base interactions energy: -66.444 where: short stacking energy: -27.253 Base-Backbone interact. energy: -0.000 local terms energy: -28.690604 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -5.800 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: -38717.560 (S_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: 255 Temperature: 1.350000 Total energy: -38838.190844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38838.190844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.312877 (E_RNA) where: Base-Base interactions energy: -63.565 where: short stacking energy: -22.510 Base-Backbone interact. energy: -0.039 local terms energy: -22.708457 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -0.712 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: -38751.878 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -41394.896813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41394.896813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.081537 (E_RNA) where: Base-Base interactions energy: -69.690 where: short stacking energy: -27.337 Base-Backbone interact. energy: -0.001 local terms energy: -37.390657 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -7.485 Dist. restrs. and SS energy: -41287.815 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -39343.862964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39343.862964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.604848 (E_RNA) where: Base-Base interactions energy: -72.037 where: short stacking energy: -25.572 Base-Backbone interact. energy: -0.000 local terms energy: -25.567312 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -0.145 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: -39246.258 (S_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: 256 Temperature: 1.000000 Total energy: -38858.361520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38858.361520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.050647 (E_RNA) where: Base-Base interactions energy: -62.424 where: short stacking energy: -28.795 Base-Backbone interact. energy: -0.001 local terms energy: -30.625737 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -8.413 Dist. restrs. and SS energy: -38765.311 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -38836.973274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38836.973274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.520460 (E_RNA) where: Base-Base interactions energy: -64.710 where: short stacking energy: -28.889 Base-Backbone interact. energy: -1.124 local terms energy: -36.686313 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: -38734.453 (S_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: 256 Temperature: 1.100000 Total energy: -39134.392667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39134.392667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.803945 (E_RNA) where: Base-Base interactions energy: -65.035 where: short stacking energy: -23.214 Base-Backbone interact. energy: -0.013 local terms energy: -26.755322 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: -39042.589 (S_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: 256 Temperature: 1.150000 Total energy: -38872.239362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38872.239362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.837969 (E_RNA) where: Base-Base interactions energy: -62.994 where: short stacking energy: -25.562 Base-Backbone interact. energy: -0.002 local terms energy: -31.842184 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: -38777.401 (S_DIST_RNA) chem. 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: -39329.832166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39329.832166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.562576 (E_RNA) where: Base-Base interactions energy: -57.479 where: short stacking energy: -25.394 Base-Backbone interact. energy: -0.001 local terms energy: -27.082240 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: -39245.270 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -38888.159295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38888.159295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.120349 (E_RNA) where: Base-Base interactions energy: -62.480 where: short stacking energy: -31.038 Base-Backbone interact. energy: -0.004 local terms energy: -32.635742 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: -38793.039 (S_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: 256 Temperature: 1.300000 Total energy: -39044.783009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39044.783009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.411379 (E_RNA) where: Base-Base interactions energy: -62.174 where: short stacking energy: -32.535 Base-Backbone interact. energy: -0.002 local terms energy: -33.235305 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -4.611 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -8.881 Dist. restrs. and SS energy: -38949.372 (S_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: 256 Temperature: 1.350000 Total energy: -39002.830816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39002.830816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.157342 (E_RNA) where: Base-Base interactions energy: -63.912 where: short stacking energy: -31.918 Base-Backbone interact. energy: -0.002 local terms energy: -28.243636 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -7.618 Dist. restrs. and SS energy: -38910.673 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -41508.474832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41508.474832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.735483 (E_RNA) where: Base-Base interactions energy: -65.842 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.589 local terms energy: -35.304313 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: -41406.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -39420.458465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39420.458465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.227688 (E_RNA) where: Base-Base interactions energy: -68.917 where: short stacking energy: -20.542 Base-Backbone interact. energy: -0.002 local terms energy: -32.308286 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: -39319.231 (S_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: 257 Temperature: 1.000000 Total energy: -38990.465476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38990.465476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.405764 (E_RNA) where: Base-Base interactions energy: -62.495 where: short stacking energy: -30.323 Base-Backbone interact. energy: -0.000 local terms energy: -35.910736 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: -38892.060 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -39262.854811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39262.854811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.465910 (E_RNA) where: Base-Base interactions energy: -70.251 where: short stacking energy: -25.099 Base-Backbone interact. energy: -0.017 local terms energy: -25.198422 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: -39167.389 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -38923.571329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38923.571329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.983480 (E_RNA) where: Base-Base interactions energy: -65.599 where: short stacking energy: -25.873 Base-Backbone interact. energy: -0.001 local terms energy: -29.383957 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -7.107 Dist. restrs. and SS energy: -38828.588 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -39476.774729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39476.774729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.033310 (E_RNA) where: Base-Base interactions energy: -63.879 where: short stacking energy: -27.865 Base-Backbone interact. energy: 0.650 local terms energy: -31.805073 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -8.925 Dist. restrs. and SS energy: -39381.741 (S_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: 257 Temperature: 1.200000 Total energy: -39008.595564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39008.595564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.714873 (E_RNA) where: Base-Base interactions energy: -68.297 where: short stacking energy: -25.474 Base-Backbone interact. energy: -0.004 local terms energy: -30.414110 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: -38909.881 (S_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: 257 Temperature: 1.250000 Total energy: -39180.150103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39180.150103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.195280 (E_RNA) where: Base-Base interactions energy: -63.640 where: short stacking energy: -30.256 Base-Backbone interact. energy: -0.001 local terms energy: -28.554144 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -4.324 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -7.033 Dist. restrs. and SS energy: -39087.955 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -39074.380333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39074.380333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.731597 (E_RNA) where: Base-Base interactions energy: -63.318 where: short stacking energy: -30.747 Base-Backbone interact. energy: -0.000 local terms energy: -29.412952 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: -38981.649 (S_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: 257 Temperature: 1.350000 Total energy: -39176.870745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39176.870745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.408697 (E_RNA) where: Base-Base interactions energy: -66.505 where: short stacking energy: -29.691 Base-Backbone interact. energy: -0.039 local terms energy: -22.864658 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -1.421 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: -39087.462 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -41601.029237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41601.029237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.451614 (E_RNA) where: Base-Base interactions energy: -66.740 where: short stacking energy: -35.533 Base-Backbone interact. energy: -0.550 local terms energy: -38.161861 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: -41495.578 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -39549.599864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39549.599864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.881420 (E_RNA) where: Base-Base interactions energy: -71.071 where: short stacking energy: -39.588 Base-Backbone interact. energy: -0.000 local terms energy: -30.810317 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -8.661 Dist. restrs. and SS energy: -39447.718 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -39368.010213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39368.010213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.664891 (E_RNA) where: Base-Base interactions energy: -70.833 where: short stacking energy: -29.072 Base-Backbone interact. energy: -0.002 local terms energy: -27.830075 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: -39269.345 (S_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: 258 Temperature: 1.050000 Total energy: -39089.656672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39089.656672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.349196 (E_RNA) where: Base-Base interactions energy: -67.049 where: short stacking energy: -19.777 Base-Backbone interact. energy: -0.010 local terms energy: -28.290015 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: -38994.307 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -39592.194283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39592.194283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.269493 (E_RNA) where: Base-Base interactions energy: -58.917 where: short stacking energy: -28.025 Base-Backbone interact. energy: -0.688 local terms energy: -29.665463 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: -39502.925 (S_DIST_RNA) chem. 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: -39041.745469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39041.745469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.470777 (E_RNA) where: Base-Base interactions energy: -59.344 where: short stacking energy: -21.591 Base-Backbone interact. energy: -0.214 local terms energy: -29.912990 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: -38952.275 (S_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: 258 Temperature: 1.200000 Total energy: -39326.320476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39326.320476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.182415 (E_RNA) where: Base-Base interactions energy: -67.268 where: short stacking energy: -33.640 Base-Backbone interact. energy: -0.000 local terms energy: -31.913971 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: -39227.138 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -39171.012715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39171.012715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.087192 (E_RNA) where: Base-Base interactions energy: -64.086 where: short stacking energy: -29.893 Base-Backbone interact. energy: -0.329 local terms energy: -26.672382 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -4.856 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: -39079.926 (S_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: 258 Temperature: 1.300000 Total energy: -39346.177633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39346.177633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.862565 (E_RNA) where: Base-Base interactions energy: -61.401 where: short stacking energy: -25.255 Base-Backbone interact. energy: -0.006 local terms energy: -25.455448 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: -39259.315 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -39264.176480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39264.176480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.491874 (E_RNA) where: Base-Base interactions energy: -57.337 where: short stacking energy: -21.782 Base-Backbone interact. energy: -0.010 local terms energy: -20.144333 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -4.239 flat angles C4'-P-C4' energy: -2.469 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: -39186.685 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -41670.793537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41670.793537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.605153 (E_RNA) where: Base-Base interactions energy: -75.532 where: short stacking energy: -27.491 Base-Backbone interact. energy: -0.001 local terms energy: -28.071720 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -1.446 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: -41567.188 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -39663.809512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39663.809512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.172299 (E_RNA) where: Base-Base interactions energy: -66.299 where: short stacking energy: -30.664 Base-Backbone interact. energy: -0.000 local terms energy: -33.872374 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -8.197 Dist. restrs. and SS energy: -39563.637 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -39485.306634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39485.306634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.800327 (E_RNA) where: Base-Base interactions energy: -65.796 where: short stacking energy: -32.036 Base-Backbone interact. energy: -1.750 local terms energy: -36.255051 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: -39381.506 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -39725.480889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39725.480889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.279902 (E_RNA) where: Base-Base interactions energy: -58.309 where: short stacking energy: -31.049 Base-Backbone interact. energy: -0.000 local terms energy: -34.970594 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: -39632.201 (S_DIST_RNA) chem. 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: -39215.408322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39215.408322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.840324 (E_RNA) where: Base-Base interactions energy: -61.754 where: short stacking energy: -26.402 Base-Backbone interact. energy: -0.433 local terms energy: -27.653274 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -8.542 Dist. restrs. and SS energy: -39125.568 (S_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: 259 Temperature: 1.150000 Total energy: -39456.176860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39456.176860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.561825 (E_RNA) where: Base-Base interactions energy: -65.983 where: short stacking energy: -35.081 Base-Backbone interact. energy: -0.000 local terms energy: -32.578280 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -6.721 Dist. restrs. and SS energy: -39357.615 (S_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: 259 Temperature: 1.200000 Total energy: -39197.659204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39197.659204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.572928 (E_RNA) where: Base-Base interactions energy: -56.193 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.095 local terms energy: -29.285794 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: -39112.086 (S_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: 259 Temperature: 1.250000 Total energy: -39478.844194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39478.844194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.713709 (E_RNA) where: Base-Base interactions energy: -67.987 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.290 local terms energy: -20.436902 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -0.626 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: -39390.130 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -39336.125734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39336.125734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.860340 (E_RNA) where: Base-Base interactions energy: -59.712 where: short stacking energy: -23.810 Base-Backbone interact. energy: -0.015 local terms energy: -31.133101 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -4.957 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: -39245.265 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -39455.315184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39455.315184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.804622 (E_RNA) where: Base-Base interactions energy: -57.563 where: short stacking energy: -24.466 Base-Backbone interact. energy: -1.058 local terms energy: -27.183840 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -3.904 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: -39369.511 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -41772.621138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41772.621138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.586592 (E_RNA) where: Base-Base interactions energy: -63.801 where: short stacking energy: -27.870 Base-Backbone interact. energy: -0.002 local terms energy: -33.783867 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -7.469 Dist. restrs. and SS energy: -41675.035 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -39764.315779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39764.315779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.492131 (E_RNA) where: Base-Base interactions energy: -67.879 where: short stacking energy: -27.562 Base-Backbone interact. energy: -0.002 local terms energy: -27.610886 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -1.798 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: -39668.824 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -39849.285790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39849.285790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.605361 (E_RNA) where: Base-Base interactions energy: -65.807 where: short stacking energy: -31.518 Base-Backbone interact. energy: -0.000 local terms energy: -33.798368 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: -39749.680 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -39599.450353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39599.450353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.674832 (E_RNA) where: Base-Base interactions energy: -60.223 where: short stacking energy: -29.714 Base-Backbone interact. energy: 0.315 local terms energy: -33.766864 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: -39505.776 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -39576.815681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39576.815681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.271756 (E_RNA) where: Base-Base interactions energy: -68.083 where: short stacking energy: -36.301 Base-Backbone interact. energy: -0.000 local terms energy: -34.188746 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -8.824 Dist. restrs. and SS energy: -39474.544 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -39325.784266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39325.784266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.709172 (E_RNA) where: Base-Base interactions energy: -60.725 where: short stacking energy: -30.984 Base-Backbone interact. energy: -1.561 local terms energy: -31.423086 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: -39232.075 (S_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: 260 Temperature: 1.200000 Total energy: -39670.514941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39670.514941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.606809 (E_RNA) where: Base-Base interactions energy: -58.994 where: short stacking energy: -22.219 Base-Backbone interact. energy: -0.010 local terms energy: -30.602495 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: -39580.908 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -39361.713025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39361.713025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.860603 (E_RNA) where: Base-Base interactions energy: -65.735 where: short stacking energy: -24.577 Base-Backbone interact. energy: -0.004 local terms energy: -30.121918 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -6.198 Dist. restrs. and SS energy: -39265.852 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -39610.042806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39610.042806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.000399 (E_RNA) where: Base-Base interactions energy: -64.676 where: short stacking energy: -17.652 Base-Backbone interact. energy: -0.028 local terms energy: -20.296702 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: 1.031 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: -39525.042 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -39678.022276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39678.022276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.879700 (E_RNA) where: Base-Base interactions energy: -54.499 where: short stacking energy: -16.723 Base-Backbone interact. energy: -0.083 local terms energy: -18.296926 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -1.989 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: -39605.143 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -41862.233812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41862.233812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.492744 (E_RNA) where: Base-Base interactions energy: -69.247 where: short stacking energy: -33.902 Base-Backbone interact. energy: -0.000 local terms energy: -37.246097 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -8.804 Dist. restrs. and SS energy: -41755.741 (S_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: 261 Temperature: 0.950000 Total energy: -39951.400293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39951.400293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.349109 (E_RNA) where: Base-Base interactions energy: -60.683 where: short stacking energy: -25.225 Base-Backbone interact. energy: 1.018 local terms energy: -30.683743 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: -39861.051 (S_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: 261 Temperature: 1.000000 Total energy: -39862.290790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39862.290790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.156987 (E_RNA) where: Base-Base interactions energy: -61.246 where: short stacking energy: -26.972 Base-Backbone interact. energy: -0.852 local terms energy: -34.058602 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: -39766.134 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -39728.356374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39728.356374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.509946 (E_RNA) where: Base-Base interactions energy: -66.353 where: short stacking energy: -31.416 Base-Backbone interact. energy: -0.000 local terms energy: -39.156721 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -9.760 Dist. restrs. and SS energy: -39622.846 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -39686.883806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39686.883806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.668719 (E_RNA) where: Base-Base interactions energy: -60.434 where: short stacking energy: -32.851 Base-Backbone interact. energy: -0.306 local terms energy: -32.928597 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: -39593.215 (S_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: 261 Temperature: 1.150000 Total energy: -39792.448769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39792.448769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.833828 (E_RNA) where: Base-Base interactions energy: -62.676 where: short stacking energy: -26.026 Base-Backbone interact. energy: -0.389 local terms energy: -27.768587 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: -39701.615 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -39467.951154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39467.951154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.061792 (E_RNA) where: Base-Base interactions energy: -64.340 where: short stacking energy: -30.718 Base-Backbone interact. energy: -2.043 local terms energy: -28.678491 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.124 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: -39372.889 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -39785.738033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39785.738033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.773280 (E_RNA) where: Base-Base interactions energy: -62.370 where: short stacking energy: -31.470 Base-Backbone interact. energy: -0.001 local terms energy: -32.402841 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: -39690.965 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -39536.199688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39536.199688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.874308 (E_RNA) where: Base-Base interactions energy: -54.579 where: short stacking energy: -21.665 Base-Backbone interact. energy: 1.278 local terms energy: -26.573293 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: -39456.325 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -40104.014211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40104.014211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.591502 (E_RNA) where: Base-Base interactions energy: -55.296 where: short stacking energy: -18.273 Base-Backbone interact. energy: -0.018 local terms energy: -18.277921 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: 0.864 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: -40030.423 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -41956.778793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41956.778793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.946791 (E_RNA) where: Base-Base interactions energy: -69.659 where: short stacking energy: -36.104 Base-Backbone interact. energy: -0.873 local terms energy: -36.414599 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -8.971 Dist. restrs. and SS energy: -41849.832 (S_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: 262 Temperature: 0.950000 Total energy: -40084.827694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40084.827694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.017646 (E_RNA) where: Base-Base interactions energy: -69.296 where: short stacking energy: -21.793 Base-Backbone interact. energy: -0.015 local terms energy: -28.706755 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: -39986.810 (S_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: 262 Temperature: 1.000000 Total energy: -39977.620070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39977.620070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.541761 (E_RNA) where: Base-Base interactions energy: -62.208 where: short stacking energy: -25.159 Base-Backbone interact. energy: -1.767 local terms energy: -31.566399 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: -39882.078 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -39846.765979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39846.765979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.132384 (E_RNA) where: Base-Base interactions energy: -68.007 where: short stacking energy: -33.112 Base-Backbone interact. energy: -0.000 local terms energy: -37.124651 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -8.846 Dist. restrs. and SS energy: -39741.634 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -39907.370058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39907.370058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.095721 (E_RNA) where: Base-Base interactions energy: -66.576 where: short stacking energy: -27.530 Base-Backbone interact. energy: -0.001 local terms energy: -31.518374 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: 0.011 tors. eta vs tors. theta energy: -7.771 Dist. restrs. and SS energy: -39809.274 (S_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: 262 Temperature: 1.150000 Total energy: -39821.350944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39821.350944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.491476 (E_RNA) where: Base-Base interactions energy: -63.462 where: short stacking energy: -29.667 Base-Backbone interact. energy: -0.077 local terms energy: -26.952847 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -3.041 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -5.790 Dist. restrs. and SS energy: -39730.859 (S_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: 262 Temperature: 1.200000 Total energy: -39898.697054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39898.697054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.745206 (E_RNA) where: Base-Base interactions energy: -61.448 where: short stacking energy: -30.530 Base-Backbone interact. energy: -0.000 local terms energy: -33.296473 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: -39803.952 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -39615.184882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39615.184882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.313457 (E_RNA) where: Base-Base interactions energy: -68.726 where: short stacking energy: -22.269 Base-Backbone interact. energy: -0.002 local terms energy: -21.585565 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -3.854 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: -39524.871 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -40279.712354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40279.712354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.093132 (E_RNA) where: Base-Base interactions energy: -61.683 where: short stacking energy: -23.623 Base-Backbone interact. energy: -0.012 local terms energy: -23.397828 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -5.894 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -1.085 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: -40194.619 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -39787.288441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39787.288441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.351870 (E_RNA) where: Base-Base interactions energy: -55.154 where: short stacking energy: -23.023 Base-Backbone interact. energy: 0.145 local terms energy: -25.343617 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -6.412 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: -39706.937 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -42061.826525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42061.826525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.133585 (E_RNA) where: Base-Base interactions energy: -66.953 where: short stacking energy: -29.900 Base-Backbone interact. energy: -0.001 local terms energy: -34.179634 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -8.651 Dist. restrs. and SS energy: -41960.693 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -40225.469995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40225.469995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.839049 (E_RNA) where: Base-Base interactions energy: -66.860 where: short stacking energy: -35.430 Base-Backbone interact. energy: -0.002 local terms energy: -32.976684 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: -40125.631 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -40098.542547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40098.542547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.720592 (E_RNA) where: Base-Base interactions energy: -62.975 where: short stacking energy: -20.715 Base-Backbone interact. energy: -0.022 local terms energy: -30.723852 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: -40004.822 (S_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: 263 Temperature: 1.050000 Total energy: -39997.901877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39997.901877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.175536 (E_RNA) where: Base-Base interactions energy: -66.006 where: short stacking energy: -34.072 Base-Backbone interact. energy: -0.004 local terms energy: -32.165525 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: -39899.726 (S_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: 263 Temperature: 1.100000 Total energy: -39963.458192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39963.458192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.398278 (E_RNA) where: Base-Base interactions energy: -70.934 where: short stacking energy: -26.428 Base-Backbone interact. energy: -0.703 local terms energy: -25.760503 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: -39866.060 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -40052.398336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40052.398336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.844432 (E_RNA) where: Base-Base interactions energy: -68.466 where: short stacking energy: -28.988 Base-Backbone interact. energy: -0.011 local terms energy: -27.368203 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: -39956.554 (S_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: 263 Temperature: 1.200000 Total energy: -39962.403474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39962.403474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.337523 (E_RNA) where: Base-Base interactions energy: -62.277 where: short stacking energy: -31.040 Base-Backbone interact. energy: -1.226 local terms energy: -34.834391 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.764 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: -39864.066 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -40417.450495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40417.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.009058 (E_RNA) where: Base-Base interactions energy: -55.009 where: short stacking energy: -22.143 Base-Backbone interact. energy: -0.004 local terms energy: -24.995709 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -1.721 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: -40337.441 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -39772.883802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39772.883802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.850242 (E_RNA) where: Base-Base interactions energy: -64.130 where: short stacking energy: -24.630 Base-Backbone interact. energy: -0.001 local terms energy: -24.719267 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -1.470 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: -39684.034 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -40065.452767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40065.452767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.090786 (E_RNA) where: Base-Base interactions energy: -46.099 where: short stacking energy: -17.346 Base-Backbone interact. energy: -0.062 local terms energy: -19.929805 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: 1.155 Dist. restrs. and SS energy: -39999.362 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -42163.038467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42163.038467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.060321 (E_RNA) where: Base-Base interactions energy: -65.634 where: short stacking energy: -32.534 Base-Backbone interact. energy: -0.001 local terms energy: -36.424962 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: -42060.978 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -40332.451641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40332.451641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.616096 (E_RNA) where: Base-Base interactions energy: -64.065 where: short stacking energy: -28.932 Base-Backbone interact. energy: -0.000 local terms energy: -36.550625 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: -40231.836 (S_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: 264 Temperature: 1.000000 Total energy: -40214.487599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40214.487599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.822714 (E_RNA) where: Base-Base interactions energy: -66.520 where: short stacking energy: -26.964 Base-Backbone interact. energy: -0.003 local terms energy: -30.299440 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -5.865 flat angles C4'-P-C4' energy: -8.800 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: -40117.665 (S_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: 264 Temperature: 1.050000 Total energy: -40108.709791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40108.709791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.299964 (E_RNA) where: Base-Base interactions energy: -74.519 where: short stacking energy: -27.762 Base-Backbone interact. energy: -0.000 local terms energy: -28.780348 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -4.563 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: -40005.410 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -40155.435196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40155.435196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.375871 (E_RNA) where: Base-Base interactions energy: -65.330 where: short stacking energy: -28.947 Base-Backbone interact. energy: -0.292 local terms energy: -30.753115 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -5.920 Dist. restrs. and SS energy: -40059.059 (S_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: 264 Temperature: 1.150000 Total energy: -40088.276788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40088.276788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.628534 (E_RNA) where: Base-Base interactions energy: -64.130 where: short stacking energy: -26.091 Base-Backbone interact. energy: -0.006 local terms energy: -28.492765 where: bonds (distance) C4'-P energy: -3.802 bonds (distance) P-C4' energy: -6.711 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -6.340 Dist. restrs. and SS energy: -39995.648 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -40560.527544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40560.527544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.456134 (E_RNA) where: Base-Base interactions energy: -62.121 where: short stacking energy: -26.049 Base-Backbone interact. energy: -0.008 local terms energy: -30.327026 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: -40468.071 (S_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: 264 Temperature: 1.250000 Total energy: -40112.484110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40112.484110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.392108 (E_RNA) where: Base-Base interactions energy: -63.793 where: short stacking energy: -23.117 Base-Backbone interact. energy: -0.014 local terms energy: -27.585008 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -1.307 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: -40021.092 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -40347.780910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40347.780910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.600449 (E_RNA) where: Base-Base interactions energy: -51.165 where: short stacking energy: -19.942 Base-Backbone interact. energy: -0.005 local terms energy: -25.430687 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: -40271.180 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -39994.765102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39994.765102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.210334 (E_RNA) where: Base-Base interactions energy: -61.033 where: short stacking energy: -30.748 Base-Backbone interact. energy: -0.014 local terms energy: -23.162547 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -1.589 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: -39910.555 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -42292.058378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42292.058378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.955267 (E_RNA) where: Base-Base interactions energy: -65.709 where: short stacking energy: -28.350 Base-Backbone interact. energy: 1.131 local terms energy: -31.377261 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: -42196.103 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -40440.907363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40440.907363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.400394 (E_RNA) where: Base-Base interactions energy: -69.219 where: short stacking energy: -36.132 Base-Backbone interact. energy: 0.077 local terms energy: -36.258511 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -9.751 Dist. restrs. and SS energy: -40335.507 (S_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: 265 Temperature: 1.000000 Total energy: -40309.457370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40309.457370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.740500 (E_RNA) where: Base-Base interactions energy: -62.913 where: short stacking energy: -23.370 Base-Backbone interact. energy: -0.001 local terms energy: -33.826356 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: -40212.717 (S_DIST_RNA) chem. 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: -40284.752078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40284.752078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.693069 (E_RNA) where: Base-Base interactions energy: -67.890 where: short stacking energy: -21.794 Base-Backbone interact. energy: -0.577 local terms energy: -26.225708 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: 1.314 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: -40190.059 (S_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: 265 Temperature: 1.100000 Total energy: -40242.804144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40242.804144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.693851 (E_RNA) where: Base-Base interactions energy: -71.311 where: short stacking energy: -27.967 Base-Backbone interact. energy: -0.251 local terms energy: -29.132072 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -0.206 tors. eta vs tors. theta energy: -6.293 Dist. restrs. and SS energy: -40142.110 (S_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: 265 Temperature: 1.150000 Total energy: -40698.599688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40698.599688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.011230 (E_RNA) where: Base-Base interactions energy: -62.528 where: short stacking energy: -31.383 Base-Backbone interact. energy: -0.358 local terms energy: -32.125457 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -7.460 Dist. restrs. and SS energy: -40603.588 (S_DIST_RNA) chem. 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: -40202.068093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40202.068093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.198577 (E_RNA) where: Base-Base interactions energy: -65.032 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.163 local terms energy: -28.003618 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -5.185 Dist. restrs. and SS energy: -40108.870 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -40546.681247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40546.681247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.616208 (E_RNA) where: Base-Base interactions energy: -64.165 where: short stacking energy: -31.162 Base-Backbone interact. energy: -0.000 local terms energy: -32.450451 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: -40450.065 (S_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: 265 Temperature: 1.300000 Total energy: -40255.420746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40255.420746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.487878 (E_RNA) where: Base-Base interactions energy: -57.414 where: short stacking energy: -30.402 Base-Backbone interact. energy: -0.000 local terms energy: -31.073635 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: -40166.933 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -40169.026183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40169.026183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.229727 (E_RNA) where: Base-Base interactions energy: -58.201 where: short stacking energy: -26.836 Base-Backbone interact. energy: -0.008 local terms energy: -29.020229 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -2.122 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: -40081.796 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -42401.694549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42401.694549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.021779 (E_RNA) where: Base-Base interactions energy: -67.152 where: short stacking energy: -30.921 Base-Backbone interact. energy: 1.324 local terms energy: -34.193851 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: -42301.673 (S_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: 266 Temperature: 0.950000 Total energy: -40537.742114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40537.742114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.815614 (E_RNA) where: Base-Base interactions energy: -66.487 where: short stacking energy: -28.117 Base-Backbone interact. energy: -0.000 local terms energy: -34.328620 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -8.263 Dist. restrs. and SS energy: -40436.926 (S_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: 266 Temperature: 1.000000 Total energy: -40427.386339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40427.386339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.953516 (E_RNA) where: Base-Base interactions energy: -69.195 where: short stacking energy: -34.865 Base-Backbone interact. energy: -0.000 local terms energy: -32.758445 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -8.383 Dist. restrs. and SS energy: -40325.433 (S_DIST_RNA) chem. 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: -40426.501509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40426.501509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.814450 (E_RNA) where: Base-Base interactions energy: -67.104 where: short stacking energy: -33.647 Base-Backbone interact. energy: -0.001 local terms energy: -34.709083 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -7.735 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -8.626 Dist. restrs. and SS energy: -40324.687 (S_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: 266 Temperature: 1.100000 Total energy: -40819.083730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40819.083730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.954355 (E_RNA) where: Base-Base interactions energy: -68.633 where: short stacking energy: -33.597 Base-Backbone interact. energy: -0.378 local terms energy: -34.942417 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -9.533 Dist. restrs. and SS energy: -40715.129 (S_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: 266 Temperature: 1.150000 Total energy: -40381.391137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40381.391137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.606784 (E_RNA) where: Base-Base interactions energy: -68.235 where: short stacking energy: -26.770 Base-Backbone interact. energy: -0.001 local terms energy: -33.370914 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: -40279.784 (S_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: 266 Temperature: 1.200000 Total energy: -40690.252648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40690.252648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.275400 (E_RNA) where: Base-Base interactions energy: -60.755 where: short stacking energy: -31.975 Base-Backbone interact. energy: -0.003 local terms energy: -34.518158 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -7.524 Dist. restrs. and SS energy: -40594.977 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -40317.353630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40317.353630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.046210 (E_RNA) where: Base-Base interactions energy: -57.061 where: short stacking energy: -26.854 Base-Backbone interact. energy: -0.458 local terms energy: -33.527557 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: -40226.307 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -40351.179211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40351.179211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.177410 (E_RNA) where: Base-Base interactions energy: -62.821 where: short stacking energy: -18.366 Base-Backbone interact. energy: -0.001 local terms energy: -30.355211 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: -40258.002 (S_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: 266 Temperature: 1.350000 Total energy: -40410.229314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40410.229314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.835766 (E_RNA) where: Base-Base interactions energy: -55.845 where: short stacking energy: -24.079 Base-Backbone interact. energy: -0.002 local terms energy: -29.988943 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: -40324.394 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -42512.582966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42512.582966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.313764 (E_RNA) where: Base-Base interactions energy: -68.060 where: short stacking energy: -32.560 Base-Backbone interact. energy: -0.000 local terms energy: -34.253936 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: -42410.269 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -40620.830471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40620.830471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.806533 (E_RNA) where: Base-Base interactions energy: -66.467 where: short stacking energy: -28.253 Base-Backbone interact. energy: -0.012 local terms energy: -29.327822 where: bonds (distance) C4'-P energy: -3.840 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -8.008 Dist. restrs. and SS energy: -40525.024 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -40556.209041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40556.209041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.769778 (E_RNA) where: Base-Base interactions energy: -65.847 where: short stacking energy: -34.011 Base-Backbone interact. energy: -1.512 local terms energy: -30.410185 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -6.207 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -7.885 Dist. restrs. and SS energy: -40458.439 (S_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: 267 Temperature: 1.050000 Total energy: -40939.016414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40939.016414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.348021 (E_RNA) where: Base-Base interactions energy: -68.869 where: short stacking energy: -33.931 Base-Backbone interact. energy: -0.000 local terms energy: -27.478544 where: bonds (distance) C4'-P energy: -3.697 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: -40842.668 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -40531.816367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40531.816367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.246048 (E_RNA) where: Base-Base interactions energy: -66.831 where: short stacking energy: -30.824 Base-Backbone interact. energy: -0.012 local terms energy: -33.402972 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -9.437 Dist. restrs. and SS energy: -40431.570 (S_DIST_RNA) chem. 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: -40815.382354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40815.382354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.413153 (E_RNA) where: Base-Base interactions energy: -62.042 where: short stacking energy: -24.142 Base-Backbone interact. energy: -0.032 local terms energy: -28.338830 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -3.798 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: -40724.969 (S_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: 267 Temperature: 1.200000 Total energy: -40518.771688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40518.771688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.570837 (E_RNA) where: Base-Base interactions energy: -56.645 where: short stacking energy: -20.598 Base-Backbone interact. energy: -0.011 local terms energy: -23.914636 where: bonds (distance) C4'-P energy: -2.132 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: -40438.201 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -40510.325877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40510.325877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.813573 (E_RNA) where: Base-Base interactions energy: -67.785 where: short stacking energy: -27.386 Base-Backbone interact. energy: -0.002 local terms energy: -27.026398 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -5.199 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -1.747 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: -40415.512 (S_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: 267 Temperature: 1.300000 Total energy: -40477.671674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40477.671674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.789289 (E_RNA) where: Base-Base interactions energy: -57.775 where: short stacking energy: -26.690 Base-Backbone interact. energy: -0.958 local terms energy: -26.056126 where: bonds (distance) C4'-P energy: -2.955 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -2.757 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: -40392.882 (S_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: 267 Temperature: 1.350000 Total energy: -40619.778845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40619.778845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.252127 (E_RNA) where: Base-Base interactions energy: -61.202 where: short stacking energy: -29.086 Base-Backbone interact. energy: -0.243 local terms energy: -25.806513 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -3.262 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: -40532.527 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -42617.305847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42617.305847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.784155 (E_RNA) where: Base-Base interactions energy: -73.143 where: short stacking energy: -32.762 Base-Backbone interact. energy: -0.001 local terms energy: -32.640020 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: -9.477 Dist. restrs. and SS energy: -42511.522 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -40737.167981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40737.167981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.401549 (E_RNA) where: Base-Base interactions energy: -69.982 where: short stacking energy: -36.942 Base-Backbone interact. energy: -0.001 local terms energy: -33.418883 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -8.093 Dist. restrs. and SS energy: -40633.766 (S_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: 268 Temperature: 1.000000 Total energy: -41045.478272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41045.478272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.239101 (E_RNA) where: Base-Base interactions energy: -69.913 where: short stacking energy: -33.953 Base-Backbone interact. energy: -0.412 local terms energy: -30.914058 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: -40944.239 (S_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: 268 Temperature: 1.050000 Total energy: -40689.651471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40689.651471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.615193 (E_RNA) where: Base-Base interactions energy: -63.773 where: short stacking energy: -34.383 Base-Backbone interact. energy: -1.139 local terms energy: -34.703648 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -9.615 Dist. restrs. and SS energy: -40590.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -40934.386842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40934.386842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.366502 (E_RNA) where: Base-Base interactions energy: -62.633 where: short stacking energy: -21.132 Base-Backbone interact. energy: -0.003 local terms energy: -27.730238 where: bonds (distance) C4'-P energy: -0.839 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: -40844.020 (S_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: 268 Temperature: 1.150000 Total energy: -40651.720908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40651.720908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.080391 (E_RNA) where: Base-Base interactions energy: -67.248 where: short stacking energy: -20.617 Base-Backbone interact. energy: -0.003 local terms energy: -30.829849 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: -40553.641 (S_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: 268 Temperature: 1.200000 Total energy: -40754.049780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40754.049780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.564616 (E_RNA) where: Base-Base interactions energy: -54.133 where: short stacking energy: -27.338 Base-Backbone interact. energy: -0.039 local terms energy: -30.392237 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: -40669.485 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -40699.410633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40699.410633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.448046 (E_RNA) where: Base-Base interactions energy: -66.684 where: short stacking energy: -19.099 Base-Backbone interact. energy: -0.021 local terms energy: -26.743233 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: -40605.963 (S_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: 268 Temperature: 1.300000 Total energy: -40798.614598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40798.614598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.666580 (E_RNA) where: Base-Base interactions energy: -61.922 where: short stacking energy: -28.518 Base-Backbone interact. energy: 0.457 local terms energy: -29.201236 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: -40707.948 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -40656.120051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40656.120051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.104808 (E_RNA) where: Base-Base interactions energy: -64.726 where: short stacking energy: -29.981 Base-Backbone interact. energy: -0.000 local terms energy: -27.378639 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -4.040 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -1.760 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: -40564.015 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -42725.574616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42725.574616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.552157 (E_RNA) where: Base-Base interactions energy: -70.713 where: short stacking energy: -27.810 Base-Backbone interact. energy: -0.001 local terms energy: -36.838556 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -6.618 Dist. restrs. and SS energy: -42618.022 (S_DIST_RNA) chem. 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: -41141.589095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41141.589095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.196780 (E_RNA) where: Base-Base interactions energy: -73.744 where: short stacking energy: -23.361 Base-Backbone interact. energy: -0.002 local terms energy: -26.451147 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -0.152 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: -41041.392 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -40866.434928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40866.434928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.399626 (E_RNA) where: Base-Base interactions energy: -68.425 where: short stacking energy: -26.759 Base-Backbone interact. energy: -0.000 local terms energy: -31.974124 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -8.886 Dist. restrs. and SS energy: -40766.035 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -41042.892760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41042.892760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.063093 (E_RNA) where: Base-Base interactions energy: -71.091 where: short stacking energy: -30.190 Base-Backbone interact. energy: -0.978 local terms energy: -28.994180 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.702 flat angles C4'-P-C4' energy: -8.971 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: -40941.830 (S_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: 269 Temperature: 1.100000 Total energy: -40800.412267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40800.412267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.121085 (E_RNA) where: Base-Base interactions energy: -61.395 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.267 local terms energy: -34.458581 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -8.946 Dist. restrs. and SS energy: -40704.291 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -41031.641214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41031.641214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.604936 (E_RNA) where: Base-Base interactions energy: -56.302 where: short stacking energy: -24.870 Base-Backbone interact. energy: -0.190 local terms energy: -26.113219 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.073 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: -40949.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -40764.076115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40764.076115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.497373 (E_RNA) where: Base-Base interactions energy: -56.782 where: short stacking energy: -28.541 Base-Backbone interact. energy: -0.514 local terms energy: -33.201518 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: -40673.579 (S_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: 269 Temperature: 1.250000 Total energy: -40942.789101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40942.789101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.252889 (E_RNA) where: Base-Base interactions energy: -65.250 where: short stacking energy: -23.319 Base-Backbone interact. energy: -0.012 local terms energy: -26.990948 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.493 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: -40850.536 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -40878.892438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40878.892438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.138929 (E_RNA) where: Base-Base interactions energy: -61.415 where: short stacking energy: -18.925 Base-Backbone interact. energy: -0.010 local terms energy: -23.714467 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -1.272 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: -40793.754 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -40825.353113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40825.353113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.974797 (E_RNA) where: Base-Base interactions energy: -67.042 where: short stacking energy: -25.550 Base-Backbone interact. energy: -0.023 local terms energy: -27.910562 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: -40730.378 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -42811.938628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42811.938628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.790122 (E_RNA) where: Base-Base interactions energy: -67.710 where: short stacking energy: -27.326 Base-Backbone interact. energy: -0.005 local terms energy: -32.075340 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: -42712.149 (S_DIST_RNA) chem. 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: -41217.590089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41217.590089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.676532 (E_RNA) where: Base-Base interactions energy: -63.483 where: short stacking energy: -23.515 Base-Backbone interact. energy: -0.227 local terms energy: -32.966802 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: -41120.914 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -41130.277656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41130.277656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.195164 (E_RNA) where: Base-Base interactions energy: -65.390 where: short stacking energy: -27.151 Base-Backbone interact. energy: -1.019 local terms energy: -31.786146 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: -41032.082 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -41018.708545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41018.708545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.160335 (E_RNA) where: Base-Base interactions energy: -68.153 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.001 local terms energy: -35.006434 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: -40915.548 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -41381.032885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41381.032885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.128889 (E_RNA) where: Base-Base interactions energy: -61.820 where: short stacking energy: -27.748 Base-Backbone interact. energy: -0.006 local terms energy: -22.303580 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -4.449 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: -41296.904 (S_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: 270 Temperature: 1.150000 Total energy: -40917.000915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40917.000915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.481682 (E_RNA) where: Base-Base interactions energy: -66.016 where: short stacking energy: -25.616 Base-Backbone interact. energy: -0.002 local terms energy: -29.464217 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: 0.231 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: -40821.519 (S_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: 270 Temperature: 1.200000 Total energy: -41091.235258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41091.235258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.016895 (E_RNA) where: Base-Base interactions energy: -62.483 where: short stacking energy: -25.754 Base-Backbone interact. energy: -0.002 local terms energy: -31.531780 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: -40997.218 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -40902.977337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40902.977337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.891066 (E_RNA) where: Base-Base interactions energy: -68.797 where: short stacking energy: -30.366 Base-Backbone interact. energy: -0.001 local terms energy: -29.093614 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -0.088 tors. eta vs tors. theta energy: -8.570 Dist. restrs. and SS energy: -40805.086 (S_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: 270 Temperature: 1.300000 Total energy: -41046.961278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41046.961278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.112134 (E_RNA) where: Base-Base interactions energy: -53.257 where: short stacking energy: -21.212 Base-Backbone interact. energy: -0.074 local terms energy: -29.780773 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: -40963.849 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -41061.074659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41061.074659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.187849 (E_RNA) where: Base-Base interactions energy: -64.589 where: short stacking energy: -19.187 Base-Backbone interact. energy: -0.019 local terms energy: -28.580807 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: -40967.887 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -42913.933747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42913.933747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.203039 (E_RNA) where: Base-Base interactions energy: -65.318 where: short stacking energy: -25.902 Base-Backbone interact. energy: -0.002 local terms energy: -27.883179 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.345 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -5.799 Dist. restrs. and SS energy: -42820.731 (S_DIST_RNA) chem. 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: -41335.309118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41335.309118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.672188 (E_RNA) where: Base-Base interactions energy: -61.795 where: short stacking energy: -32.002 Base-Backbone interact. energy: -1.150 local terms energy: -32.727144 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -6.226 Dist. restrs. and SS energy: -41239.637 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -41227.322841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41227.322841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.820066 (E_RNA) where: Base-Base interactions energy: -72.317 where: short stacking energy: -22.643 Base-Backbone interact. energy: -0.003 local terms energy: -25.499978 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -1.434 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: -41129.503 (S_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: 271 Temperature: 1.050000 Total energy: -41629.661627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41629.661627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.913319 (E_RNA) where: Base-Base interactions energy: -56.803 where: short stacking energy: -24.403 Base-Backbone interact. energy: -0.005 local terms energy: -27.106046 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: -41545.748 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -41176.873604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41176.873604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.321905 (E_RNA) where: Base-Base interactions energy: -62.517 where: short stacking energy: -32.598 Base-Backbone interact. energy: -0.947 local terms energy: -26.858446 where: bonds (distance) C4'-P energy: -4.056 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -7.078 Dist. restrs. and SS energy: -41086.552 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -41220.596119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41220.596119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.514197 (E_RNA) where: Base-Base interactions energy: -57.069 where: short stacking energy: -25.870 Base-Backbone interact. energy: -0.000 local terms energy: -33.445145 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -8.221 Dist. restrs. and SS energy: -41130.082 (S_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: 271 Temperature: 1.200000 Total energy: -41060.300485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41060.300485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.159152 (E_RNA) where: Base-Base interactions energy: -65.045 where: short stacking energy: -31.748 Base-Backbone interact. energy: -0.001 local terms energy: -29.112876 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -6.229 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -7.519 Dist. restrs. and SS energy: -40966.141 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -41224.238025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41224.238025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.674009 (E_RNA) where: Base-Base interactions energy: -66.678 where: short stacking energy: -32.603 Base-Backbone interact. energy: -0.001 local terms energy: -27.994267 where: bonds (distance) C4'-P energy: -4.674 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -0.340 tors. eta vs tors. theta energy: -8.959 Dist. restrs. and SS energy: -41129.564 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -41043.989881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41043.989881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.630387 (E_RNA) where: Base-Base interactions energy: -60.222 where: short stacking energy: -28.577 Base-Backbone interact. energy: -0.686 local terms energy: -28.722518 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: -40954.359 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -41305.960530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41305.960530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.785665 (E_RNA) where: Base-Base interactions energy: -66.050 where: short stacking energy: -22.045 Base-Backbone interact. energy: -0.001 local terms energy: -23.734919 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -1.310 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: -41216.175 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -43011.811840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43011.811840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.291396 (E_RNA) where: Base-Base interactions energy: -64.901 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.649 local terms energy: -33.741089 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -9.020 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: -42912.520 (S_DIST_RNA) chem. 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: -41436.830818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41436.830818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.668758 (E_RNA) where: Base-Base interactions energy: -71.281 where: short stacking energy: -35.198 Base-Backbone interact. energy: -0.000 local terms energy: -36.387653 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -8.679 Dist. restrs. and SS energy: -41329.162 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -41846.486425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41846.486425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.964680 (E_RNA) where: Base-Base interactions energy: -63.558 where: short stacking energy: -28.965 Base-Backbone interact. energy: -0.038 local terms energy: -31.369028 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: -41751.522 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -41339.909251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41339.909251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.850188 (E_RNA) where: Base-Base interactions energy: -67.126 where: short stacking energy: -26.427 Base-Backbone interact. energy: 2.203 local terms energy: -27.926586 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: -41247.059 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -41392.803860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41392.803860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.393771 (E_RNA) where: Base-Base interactions energy: -61.373 where: short stacking energy: -25.786 Base-Backbone interact. energy: -0.000 local terms energy: -30.020715 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -1.529 tors. eta vs tors. theta energy: -8.308 Dist. restrs. and SS energy: -41301.410 (S_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: 272 Temperature: 1.150000 Total energy: -41315.402464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41315.402464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.848158 (E_RNA) where: Base-Base interactions energy: -50.382 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.009 local terms energy: -31.456812 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.943 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: -41233.554 (S_DIST_RNA) chem. 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: -41452.626082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41452.626082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.764888 (E_RNA) where: Base-Base interactions energy: -60.058 where: short stacking energy: -24.468 Base-Backbone interact. energy: -0.028 local terms energy: -24.679329 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -1.327 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: -41367.861 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -41202.573984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41202.573984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.414203 (E_RNA) where: Base-Base interactions energy: -59.663 where: short stacking energy: -33.736 Base-Backbone interact. energy: -0.632 local terms energy: -28.119102 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -3.640 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -7.673 Dist. restrs. and SS energy: -41114.160 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -41468.396025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41468.396025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.310797 (E_RNA) where: Base-Base interactions energy: -68.121 where: short stacking energy: -22.919 Base-Backbone interact. energy: -0.003 local terms energy: -23.186422 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -3.209 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: -41377.085 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -41196.112703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41196.112703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.088578 (E_RNA) where: Base-Base interactions energy: -59.951 where: short stacking energy: -22.441 Base-Backbone interact. energy: -0.011 local terms energy: -21.126526 where: bonds (distance) C4'-P energy: -3.647 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: -41115.024 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -43116.798993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43116.798993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.682841 (E_RNA) where: Base-Base interactions energy: -69.827 where: short stacking energy: -29.328 Base-Backbone interact. energy: -0.001 local terms energy: -33.855144 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -7.316 Dist. restrs. and SS energy: -43013.116 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -42042.300074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42042.300074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.593914 (E_RNA) where: Base-Base interactions energy: -62.411 where: short stacking energy: -27.776 Base-Backbone interact. energy: -0.021 local terms energy: -34.162727 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: -41945.706 (S_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: 273 Temperature: 1.000000 Total energy: -41552.257434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41552.257434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.578861 (E_RNA) where: Base-Base interactions energy: -69.536 where: short stacking energy: -32.103 Base-Backbone interact. energy: -0.000 local terms energy: -32.042820 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -7.698 Dist. restrs. and SS energy: -41450.679 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -41520.109803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41520.109803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.058414 (E_RNA) where: Base-Base interactions energy: -67.231 where: short stacking energy: -35.240 Base-Backbone interact. energy: -1.184 local terms energy: -35.643569 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -7.967 Dist. restrs. and SS energy: -41416.051 (S_DIST_RNA) chem. 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: -41450.523438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41450.523438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.739599 (E_RNA) where: Base-Base interactions energy: -69.690 where: short stacking energy: -23.515 Base-Backbone interact. energy: -0.022 local terms energy: -25.027086 where: bonds (distance) C4'-P energy: -3.109 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -6.511 Dist. restrs. and SS energy: -41355.784 (S_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: 273 Temperature: 1.150000 Total energy: -41693.121088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41693.121088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.204506 (E_RNA) where: Base-Base interactions energy: -62.390 where: short stacking energy: -26.636 Base-Backbone interact. energy: -0.008 local terms energy: -21.806949 where: bonds (distance) C4'-P energy: -5.418 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -1.489 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: -41608.917 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -41456.274158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41456.274158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.575613 (E_RNA) where: Base-Base interactions energy: -61.282 where: short stacking energy: -30.296 Base-Backbone interact. energy: -0.000 local terms energy: -38.293578 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: -41356.699 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -41621.685989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41621.685989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.309582 (E_RNA) where: Base-Base interactions energy: -61.498 where: short stacking energy: -30.265 Base-Backbone interact. energy: 0.144 local terms energy: -25.955503 where: bonds (distance) C4'-P energy: -2.339 bonds (distance) P-C4' energy: -6.821 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: -41534.376 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -41358.339117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41358.339117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.292023 (E_RNA) where: Base-Base interactions energy: -60.801 where: short stacking energy: -28.252 Base-Backbone interact. energy: -0.074 local terms energy: -30.417422 where: bonds (distance) C4'-P energy: -4.407 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: -41267.047 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -41358.922344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41358.922344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.921086 (E_RNA) where: Base-Base interactions energy: -59.077 where: short stacking energy: -26.388 Base-Backbone interact. energy: -0.048 local terms energy: -14.796847 where: bonds (distance) C4'-P energy: -0.946 bonds (distance) P-C4' energy: -5.250 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: 0.114 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: -41285.001 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -43204.000181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43204.000181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.688555 (E_RNA) where: Base-Base interactions energy: -68.391 where: short stacking energy: -29.555 Base-Backbone interact. energy: -1.502 local terms energy: -30.795491 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: -43103.312 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -42216.739958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42216.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.236552 (E_RNA) where: Base-Base interactions energy: -58.075 where: short stacking energy: -25.750 Base-Backbone interact. energy: -0.029 local terms energy: -21.133331 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: -42137.503 (S_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: 274 Temperature: 1.000000 Total energy: -41665.563719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41665.563719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.336735 (E_RNA) where: Base-Base interactions energy: -70.612 where: short stacking energy: -34.987 Base-Backbone interact. energy: -0.000 local terms energy: -34.724268 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -7.166 Dist. restrs. and SS energy: -41560.227 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -41618.882225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41618.882225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.998553 (E_RNA) where: Base-Base interactions energy: -69.139 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.001 local terms energy: -25.859217 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: 2.696 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: -41523.884 (S_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: 274 Temperature: 1.100000 Total energy: -41970.874894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41970.874894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.697933 (E_RNA) where: Base-Base interactions energy: -60.623 where: short stacking energy: -27.562 Base-Backbone interact. energy: 0.118 local terms energy: -26.192890 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: -41884.177 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -41550.853675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41550.853675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.431663 (E_RNA) where: Base-Base interactions energy: -64.218 where: short stacking energy: -29.419 Base-Backbone interact. energy: -0.010 local terms energy: -28.203314 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.085 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -2.361 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: -41458.422 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -41746.853854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41746.853854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.229409 (E_RNA) where: Base-Base interactions energy: -52.991 where: short stacking energy: -24.287 Base-Backbone interact. energy: -0.261 local terms energy: -31.977868 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: -41661.624 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -41595.552497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41595.552497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.298025 (E_RNA) where: Base-Base interactions energy: -53.627 where: short stacking energy: -23.742 Base-Backbone interact. energy: -0.165 local terms energy: -28.506362 where: bonds (distance) C4'-P energy: -4.491 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -4.517 Dist. restrs. and SS energy: -41513.254 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -41528.937642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41528.937642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.764358 (E_RNA) where: Base-Base interactions energy: -61.104 where: short stacking energy: -22.492 Base-Backbone interact. energy: -0.002 local terms energy: -27.658063 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.910 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -1.402 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: -41440.173 (S_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: -41558.268045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41558.268045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.331544 (E_RNA) where: Base-Base interactions energy: -59.136 where: short stacking energy: -26.591 Base-Backbone interact. energy: -0.638 local terms energy: -26.558469 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -4.164 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: -41471.937 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -43317.614863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43317.614863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.910143 (E_RNA) where: Base-Base interactions energy: -65.900 where: short stacking energy: -29.930 Base-Backbone interact. energy: -0.895 local terms energy: -37.114887 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -6.700 Dist. restrs. and SS energy: -43213.705 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -42469.650824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42469.650824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.433064 (E_RNA) where: Base-Base interactions energy: -60.287 where: short stacking energy: -27.224 Base-Backbone interact. energy: -0.008 local terms energy: -34.138859 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: -42375.218 (S_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: 275 Temperature: 1.000000 Total energy: -41798.856747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41798.856747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.792930 (E_RNA) where: Base-Base interactions energy: -69.989 where: short stacking energy: -31.862 Base-Backbone interact. energy: -0.000 local terms energy: -31.803767 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -8.313 Dist. restrs. and SS energy: -41697.064 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -42225.273648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42225.273648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.534249 (E_RNA) where: Base-Base interactions energy: -60.693 where: short stacking energy: -25.552 Base-Backbone interact. energy: -0.057 local terms energy: -20.784014 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -1.946 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: -42143.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -41712.514217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41712.514217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.837401 (E_RNA) where: Base-Base interactions energy: -77.882 where: short stacking energy: -23.421 Base-Backbone interact. energy: -0.040 local terms energy: -27.915272 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: -41606.677 (S_DIST_RNA) chem. 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: -41893.281979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41893.281979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.475153 (E_RNA) where: Base-Base interactions energy: -65.556 where: short stacking energy: -28.339 Base-Backbone interact. energy: -0.002 local terms energy: -31.916594 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: -41795.807 (S_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: 275 Temperature: 1.200000 Total energy: -41686.100921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41686.100921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.624912 (E_RNA) where: Base-Base interactions energy: -64.494 where: short stacking energy: -23.411 Base-Backbone interact. energy: -0.049 local terms energy: -24.081474 where: bonds (distance) C4'-P energy: -4.215 bonds (distance) P-C4' energy: -5.303 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: -41597.476 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -41789.138439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41789.138439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.694364 (E_RNA) where: Base-Base interactions energy: -62.534 where: short stacking energy: -25.108 Base-Backbone interact. energy: -0.001 local terms energy: -27.159275 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: -41699.444 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -41730.053765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41730.053765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.229999 (E_RNA) where: Base-Base interactions energy: -64.802 where: short stacking energy: -32.946 Base-Backbone interact. energy: -0.000 local terms energy: -34.427663 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -0.955 tors. eta vs tors. theta energy: -10.056 Dist. restrs. and SS energy: -41630.824 (S_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: -41733.478277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41733.478277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.135859 (E_RNA) where: Base-Base interactions energy: -62.049 where: short stacking energy: -31.403 Base-Backbone interact. energy: 2.229 local terms energy: -35.315833 where: bonds (distance) C4'-P energy: -6.030 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -9.540 Dist. restrs. and SS energy: -41638.342 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -43423.258066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43423.258066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.325882 (E_RNA) where: Base-Base interactions energy: -67.097 where: short stacking energy: -29.488 Base-Backbone interact. energy: -0.122 local terms energy: -34.105947 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -7.235 Dist. restrs. and SS energy: -43321.932 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -42620.649389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42620.649389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.718377 (E_RNA) where: Base-Base interactions energy: -62.691 where: short stacking energy: -29.825 Base-Backbone interact. energy: -0.003 local terms energy: -31.024774 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: -42526.931 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -42479.810801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42479.810801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.818989 (E_RNA) where: Base-Base interactions energy: -68.522 where: short stacking energy: -31.789 Base-Backbone interact. energy: -0.000 local terms energy: -29.296459 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -2.614 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -7.761 Dist. restrs. and SS energy: -42381.992 (S_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: 276 Temperature: 1.050000 Total energy: -41898.251023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41898.251023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.514686 (E_RNA) where: Base-Base interactions energy: -61.018 where: short stacking energy: -29.520 Base-Backbone interact. energy: -1.665 local terms energy: -34.831782 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -8.506 Dist. restrs. and SS energy: -41800.736 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -42005.617265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42005.617265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.563805 (E_RNA) where: Base-Base interactions energy: -60.461 where: short stacking energy: -33.074 Base-Backbone interact. energy: -0.001 local terms energy: -37.101629 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: -41908.053 (S_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: 276 Temperature: 1.150000 Total energy: -41831.731867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41831.731867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.002939 (E_RNA) where: Base-Base interactions energy: -60.378 where: short stacking energy: -28.347 Base-Backbone interact. energy: -0.001 local terms energy: -27.623706 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -1.211 tors. eta vs tors. theta energy: -8.181 Dist. restrs. and SS energy: -41743.729 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -41928.171058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41928.171058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.881553 (E_RNA) where: Base-Base interactions energy: -68.531 where: short stacking energy: -27.227 Base-Backbone interact. energy: -0.232 local terms energy: -24.118057 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -3.732 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: -41835.290 (S_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: 276 Temperature: 1.250000 Total energy: -41883.759073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41883.759073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.559243 (E_RNA) where: Base-Base interactions energy: -46.812 where: short stacking energy: -18.879 Base-Backbone interact. energy: 0.250 local terms energy: -23.996638 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -3.093 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: -41813.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -41890.100666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41890.100666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.506257 (E_RNA) where: Base-Base interactions energy: -62.965 where: short stacking energy: -34.853 Base-Backbone interact. energy: -0.015 local terms energy: -35.526115 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -8.301 Dist. restrs. and SS energy: -41791.594 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -41929.425100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41929.425100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.192583 (E_RNA) where: Base-Base interactions energy: -52.519 where: short stacking energy: -25.328 Base-Backbone interact. energy: -0.119 local terms energy: -29.554580 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: -41847.233 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -43517.506423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43517.506423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.983799 (E_RNA) where: Base-Base interactions energy: -69.244 where: short stacking energy: -33.633 Base-Backbone interact. energy: -1.018 local terms energy: -34.722084 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -8.777 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -9.072 Dist. restrs. and SS energy: -43412.523 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -42892.900720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42892.900720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.801215 (E_RNA) where: Base-Base interactions energy: -59.969 where: short stacking energy: -24.979 Base-Backbone interact. energy: -0.006 local terms energy: -30.826920 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.255 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: -42802.100 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -42574.876711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42574.876711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.094784 (E_RNA) where: Base-Base interactions energy: -62.821 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.449 local terms energy: -33.824861 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -7.125 Dist. restrs. and SS energy: -42477.782 (S_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: 277 Temperature: 1.050000 Total energy: -42126.138825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42126.138825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.483501 (E_RNA) where: Base-Base interactions energy: -63.419 where: short stacking energy: -26.749 Base-Backbone interact. energy: -0.002 local terms energy: -31.063257 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: -42031.655 (S_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: 277 Temperature: 1.100000 Total energy: -41996.218915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41996.218915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.151440 (E_RNA) where: Base-Base interactions energy: -66.861 where: short stacking energy: -32.654 Base-Backbone interact. energy: 0.303 local terms energy: -29.593265 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -1.358 tors. eta vs tors. theta energy: -7.084 Dist. restrs. and SS energy: -41900.067 (S_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: 277 Temperature: 1.150000 Total energy: -42068.016674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42068.016674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.520913 (E_RNA) where: Base-Base interactions energy: -58.051 where: short stacking energy: -23.850 Base-Backbone interact. energy: -0.009 local terms energy: -23.461258 where: bonds (distance) C4'-P energy: -3.232 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -0.686 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: -41986.496 (S_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: 277 Temperature: 1.200000 Total energy: -41976.891108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41976.891108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.441993 (E_RNA) where: Base-Base interactions energy: -56.026 where: short stacking energy: -30.335 Base-Backbone interact. energy: -0.012 local terms energy: -33.403458 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: -41887.449 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -42029.033368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42029.033368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.343191 (E_RNA) where: Base-Base interactions energy: -57.169 where: short stacking energy: -28.511 Base-Backbone interact. energy: -0.000 local terms energy: -31.173619 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: -41940.690 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -42364.217055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42364.217055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.957091 (E_RNA) where: Base-Base interactions energy: -59.453 where: short stacking energy: -20.904 Base-Backbone interact. energy: -0.065 local terms energy: -26.438714 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: 0.938 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: -42278.260 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -42121.433229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42121.433229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.243579 (E_RNA) where: Base-Base interactions energy: -61.715 where: short stacking energy: -23.646 Base-Backbone interact. energy: -0.001 local terms energy: -25.527452 where: bonds (distance) C4'-P energy: -2.842 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -0.318 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: -42034.190 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -43616.069830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43616.069830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.585898 (E_RNA) where: Base-Base interactions energy: -65.855 where: short stacking energy: -34.512 Base-Backbone interact. energy: -0.000 local terms energy: -36.730425 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -8.430 Dist. restrs. and SS energy: -43513.484 (S_DIST_RNA) chem. 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: -43068.723824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43068.723824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.560041 (E_RNA) where: Base-Base interactions energy: -58.033 where: short stacking energy: -28.234 Base-Backbone interact. energy: -0.031 local terms energy: -27.495658 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: -42983.164 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -42677.019892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42677.019892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.559387 (E_RNA) where: Base-Base interactions energy: -68.396 where: short stacking energy: -27.797 Base-Backbone interact. energy: -0.163 local terms energy: -32.000850 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: -42576.461 (S_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: 278 Temperature: 1.050000 Total energy: -42239.916448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42239.916448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.590113 (E_RNA) where: Base-Base interactions energy: -62.793 where: short stacking energy: -25.365 Base-Backbone interact. energy: 0.267 local terms energy: -29.064289 where: bonds (distance) C4'-P energy: -2.616 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -7.746 Dist. restrs. and SS energy: -42148.326 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -42187.846002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42187.846002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.296010 (E_RNA) where: Base-Base interactions energy: -61.810 where: short stacking energy: -24.842 Base-Backbone interact. energy: -0.630 local terms energy: -28.855611 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.216 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: -42096.550 (S_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: 278 Temperature: 1.150000 Total energy: -42115.228151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42115.228151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.908664 (E_RNA) where: Base-Base interactions energy: -59.290 where: short stacking energy: -26.961 Base-Backbone interact. energy: -1.855 local terms energy: -27.763343 where: bonds (distance) C4'-P energy: -0.505 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: -42026.319 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -42167.848803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42167.848803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.427634 (E_RNA) where: Base-Base interactions energy: -59.855 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.000 local terms energy: -28.572572 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -2.225 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: -42079.421 (S_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: 278 Temperature: 1.250000 Total energy: -42131.414203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42131.414203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.137339 (E_RNA) where: Base-Base interactions energy: -60.507 where: short stacking energy: -28.839 Base-Backbone interact. energy: -0.000 local terms energy: -26.629700 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -3.621 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -6.147 Dist. restrs. and SS energy: -42044.277 (S_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: 278 Temperature: 1.300000 Total energy: -42757.881756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42757.881756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.758777 (E_RNA) where: Base-Base interactions energy: -58.435 where: short stacking energy: -16.897 Base-Backbone interact. energy: -0.004 local terms energy: -22.319979 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -1.648 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: -42677.123 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -42291.911958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42291.911958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.346737 (E_RNA) where: Base-Base interactions energy: -59.321 where: short stacking energy: -29.164 Base-Backbone interact. energy: -0.404 local terms energy: -27.622357 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: -42204.565 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -43730.306365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43730.306365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.127222 (E_RNA) where: Base-Base interactions energy: -67.878 where: short stacking energy: -27.787 Base-Backbone interact. energy: -0.001 local terms energy: -32.248558 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -6.270 Dist. restrs. and SS energy: -43630.179 (S_DIST_RNA) chem. 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: -43270.383184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43270.383184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.653473 (E_RNA) where: Base-Base interactions energy: -54.398 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.053 local terms energy: -30.202608 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: -43185.730 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -42783.644691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42783.644691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.247551 (E_RNA) where: Base-Base interactions energy: -71.080 where: short stacking energy: -22.999 Base-Backbone interact. energy: 0.776 local terms energy: -31.943645 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: -42681.397 (S_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: 279 Temperature: 1.050000 Total energy: -42394.637530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42394.637530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.827157 (E_RNA) where: Base-Base interactions energy: -56.172 where: short stacking energy: -22.611 Base-Backbone interact. energy: -0.135 local terms energy: -30.520898 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: -42307.810 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -42323.646645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42323.646645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.884247 (E_RNA) where: Base-Base interactions energy: -65.403 where: short stacking energy: -24.244 Base-Backbone interact. energy: -0.061 local terms energy: -26.420521 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -6.724 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: -42231.762 (S_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: 279 Temperature: 1.150000 Total energy: -42274.468998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42274.468998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.711442 (E_RNA) where: Base-Base interactions energy: -58.045 where: short stacking energy: -21.615 Base-Backbone interact. energy: -0.843 local terms energy: -28.823917 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -1.320 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: -42186.758 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -42268.898752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42268.898752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.242625 (E_RNA) where: Base-Base interactions energy: -58.636 where: short stacking energy: -22.298 Base-Backbone interact. energy: -0.005 local terms energy: -28.601807 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: -42181.656 (S_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: 279 Temperature: 1.250000 Total energy: -42929.669590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42929.669590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.885859 (E_RNA) where: Base-Base interactions energy: -64.903 where: short stacking energy: -24.872 Base-Backbone interact. energy: 0.110 local terms energy: -26.092261 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.472 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: -42838.784 (S_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: 279 Temperature: 1.300000 Total energy: -42303.765950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42303.765950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.229252 (E_RNA) where: Base-Base interactions energy: -65.060 where: short stacking energy: -21.878 Base-Backbone interact. energy: 0.476 local terms energy: -29.645720 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: -42209.537 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -42482.262705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42482.262705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.604749 (E_RNA) where: Base-Base interactions energy: -57.848 where: short stacking energy: -23.085 Base-Backbone interact. energy: -0.001 local terms energy: -26.755788 where: bonds (distance) C4'-P energy: -6.127 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -1.374 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: -42397.658 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -43825.450587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43825.450587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.903368 (E_RNA) where: Base-Base interactions energy: -68.290 where: short stacking energy: -33.137 Base-Backbone interact. energy: -0.004 local terms energy: -32.610279 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -9.113 Dist. restrs. and SS energy: -43724.547 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -43509.908883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43509.908883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.322781 (E_RNA) where: Base-Base interactions energy: -69.597 where: short stacking energy: -33.375 Base-Backbone interact. energy: -0.000 local terms energy: -31.725226 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -0.377 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: -43408.586 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -42881.864246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42881.864246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.094945 (E_RNA) where: Base-Base interactions energy: -65.491 where: short stacking energy: -26.158 Base-Backbone interact. energy: 0.543 local terms energy: -35.146496 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: -42781.769 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -42562.151556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42562.151556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.966828 (E_RNA) where: Base-Base interactions energy: -60.536 where: short stacking energy: -23.230 Base-Backbone interact. energy: -0.216 local terms energy: -32.214563 where: bonds (distance) C4'-P energy: -1.917 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: -42469.185 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -42436.260754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42436.260754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.281770 (E_RNA) where: Base-Base interactions energy: -61.107 where: short stacking energy: -30.593 Base-Backbone interact. energy: -0.084 local terms energy: -35.090981 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: -42339.979 (S_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: 280 Temperature: 1.150000 Total energy: -42383.073769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42383.073769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.516802 (E_RNA) where: Base-Base interactions energy: -64.365 where: short stacking energy: -25.170 Base-Backbone interact. energy: -0.878 local terms energy: -30.273962 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -1.053 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: -42287.557 (S_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: 280 Temperature: 1.200000 Total energy: -43065.398523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43065.398523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.965604 (E_RNA) where: Base-Base interactions energy: -59.847 where: short stacking energy: -35.366 Base-Backbone interact. energy: -0.003 local terms energy: -37.116223 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -8.837 Dist. restrs. and SS energy: -42968.433 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -42427.606881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42427.606881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.359965 (E_RNA) where: Base-Base interactions energy: -68.453 where: short stacking energy: -34.770 Base-Backbone interact. energy: -1.455 local terms energy: -36.451922 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -8.076 Dist. restrs. and SS energy: -42321.247 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -42662.630523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42662.630523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.387269 (E_RNA) where: Base-Base interactions energy: -62.776 where: short stacking energy: -24.107 Base-Backbone interact. energy: -0.612 local terms energy: -27.999602 where: bonds (distance) C4'-P energy: -3.585 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: -42571.243 (S_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: 280 Temperature: 1.350000 Total energy: -42474.285347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42474.285347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.390523 (E_RNA) where: Base-Base interactions energy: -59.225 where: short stacking energy: -31.105 Base-Backbone interact. energy: -0.002 local terms energy: -35.164066 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -8.694 Dist. restrs. and SS energy: -42379.895 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -43928.269687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43928.269687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.602542 (E_RNA) where: Base-Base interactions energy: -66.708 where: short stacking energy: -28.070 Base-Backbone interact. energy: -0.003 local terms energy: -35.890949 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: -43825.667 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -43619.441075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43619.441075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.929162 (E_RNA) where: Base-Base interactions energy: -76.779 where: short stacking energy: -22.542 Base-Backbone interact. energy: 0.617 local terms energy: -28.767300 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.887 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: -43514.512 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -43013.566391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43013.566391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.604320 (E_RNA) where: Base-Base interactions energy: -63.578 where: short stacking energy: -24.858 Base-Backbone interact. energy: -0.525 local terms energy: -30.501385 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: -42918.962 (S_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: 281 Temperature: 1.050000 Total energy: -42656.316397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42656.316397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.210656 (E_RNA) where: Base-Base interactions energy: -63.190 where: short stacking energy: -30.953 Base-Backbone interact. energy: -0.354 local terms energy: -32.666561 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -5.140 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: -42560.106 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -42560.977674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42560.977674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.049453 (E_RNA) where: Base-Base interactions energy: -62.947 where: short stacking energy: -29.913 Base-Backbone interact. energy: -2.613 local terms energy: -31.488859 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.545 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: -42463.928 (S_DIST_RNA) chem. 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: -43192.354279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43192.354279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.653171 (E_RNA) where: Base-Base interactions energy: -60.605 where: short stacking energy: -20.477 Base-Backbone interact. energy: -0.004 local terms energy: -30.043981 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: -43101.701 (S_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: -42520.939166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42520.939166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.194011 (E_RNA) where: Base-Base interactions energy: -61.921 where: short stacking energy: -25.032 Base-Backbone interact. energy: -0.180 local terms energy: -34.093347 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: -42424.745 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -42814.879319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42814.879319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.881573 (E_RNA) where: Base-Base interactions energy: -62.348 where: short stacking energy: -36.492 Base-Backbone interact. energy: -0.550 local terms energy: -30.982858 where: bonds (distance) C4'-P energy: -3.154 bonds (distance) P-C4' energy: -6.724 flat angles C4'-P-C4' energy: -8.855 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -7.831 Dist. restrs. and SS energy: -42720.998 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -42561.248613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42561.248613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.166675 (E_RNA) where: Base-Base interactions energy: -53.427 where: short stacking energy: -20.791 Base-Backbone interact. energy: -0.162 local terms energy: -28.577342 where: bonds (distance) C4'-P energy: -3.532 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -5.744 Dist. restrs. and SS energy: -42479.082 (S_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: 281 Temperature: 1.350000 Total energy: -42636.855109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42636.855109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.062311 (E_RNA) where: Base-Base interactions energy: -56.215 where: short stacking energy: -19.703 Base-Backbone interact. energy: -0.430 local terms energy: -29.417291 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: -42550.793 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -44012.417453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44012.417453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.964899 (E_RNA) where: Base-Base interactions energy: -69.360 where: short stacking energy: -26.771 Base-Backbone interact. energy: -0.241 local terms energy: -34.364420 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -7.043 Dist. restrs. and SS energy: -43908.453 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -43728.760150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43728.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.279888 (E_RNA) where: Base-Base interactions energy: -65.581 where: short stacking energy: -31.606 Base-Backbone interact. energy: -0.000 local terms energy: -32.699206 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -8.114 Dist. restrs. and SS energy: -43630.480 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -43114.526201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43114.526201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.524626 (E_RNA) where: Base-Base interactions energy: -63.830 where: short stacking energy: -26.604 Base-Backbone interact. energy: -0.004 local terms energy: -33.691247 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: -43017.002 (S_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: 282 Temperature: 1.050000 Total energy: -42768.996005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42768.996005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.773049 (E_RNA) where: Base-Base interactions energy: -59.476 where: short stacking energy: -29.042 Base-Backbone interact. energy: -0.016 local terms energy: -28.281423 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: -42681.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -43328.754416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43328.754416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.790812 (E_RNA) where: Base-Base interactions energy: -62.590 where: short stacking energy: -27.302 Base-Backbone interact. energy: -0.000 local terms energy: -33.200927 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: -43232.964 (S_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: 282 Temperature: 1.150000 Total energy: -42687.169081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42687.169081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.970117 (E_RNA) where: Base-Base interactions energy: -59.053 where: short stacking energy: -24.642 Base-Backbone interact. energy: -0.322 local terms energy: -29.594906 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: -42598.199 (S_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: 282 Temperature: 1.200000 Total energy: -42968.139399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42968.139399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.620073 (E_RNA) where: Base-Base interactions energy: -63.947 where: short stacking energy: -31.390 Base-Backbone interact. energy: -0.379 local terms energy: -32.294184 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: -42871.519 (S_DIST_RNA) chem. 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: -42666.021183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42666.021183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.080396 (E_RNA) where: Base-Base interactions energy: -65.979 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.006 local terms energy: -18.095309 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -2.286 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: 0.632 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: -42581.941 (S_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: 282 Temperature: 1.300000 Total energy: -42789.001006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42789.001006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.346517 (E_RNA) where: Base-Base interactions energy: -57.504 where: short stacking energy: -22.011 Base-Backbone interact. energy: -0.152 local terms energy: -25.689836 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: 0.124 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: -42705.654 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -42714.940408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42714.940408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.266190 (E_RNA) where: Base-Base interactions energy: -56.655 where: short stacking energy: -22.339 Base-Backbone interact. energy: -0.030 local terms energy: -26.581906 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -6.518 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -1.013 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: -42631.674 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -44101.732792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44101.732792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.371048 (E_RNA) where: Base-Base interactions energy: -75.051 where: short stacking energy: -29.366 Base-Backbone interact. energy: -0.706 local terms energy: -32.613814 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: -43993.362 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -43817.865803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43817.865803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.313879 (E_RNA) where: Base-Base interactions energy: -61.809 where: short stacking energy: -29.506 Base-Backbone interact. energy: -0.355 local terms energy: -36.150125 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -8.176 Dist. restrs. and SS energy: -43719.552 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -43220.227393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43220.227393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.797697 (E_RNA) where: Base-Base interactions energy: -70.977 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.028 local terms energy: -30.792254 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -6.501 Dist. restrs. and SS energy: -43118.430 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -43457.922072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43457.922072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.915083 (E_RNA) where: Base-Base interactions energy: -62.442 where: short stacking energy: -31.026 Base-Backbone interact. energy: -0.004 local terms energy: -36.468839 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -8.945 Dist. restrs. and SS energy: -43359.007 (S_DIST_RNA) chem. 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: -42904.528032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42904.528032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.501609 (E_RNA) where: Base-Base interactions energy: -71.363 where: short stacking energy: -34.348 Base-Backbone interact. energy: -0.000 local terms energy: -33.138046 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: -42800.026 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -43085.829725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43085.829725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.354953 (E_RNA) where: Base-Base interactions energy: -69.294 where: short stacking energy: -23.928 Base-Backbone interact. energy: -0.009 local terms energy: -27.051072 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -6.290 Dist. restrs. and SS energy: -42989.475 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -42864.568758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42864.568758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.704568 (E_RNA) where: Base-Base interactions energy: -61.199 where: short stacking energy: -31.631 Base-Backbone interact. energy: -0.000 local terms energy: -35.505490 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: -42767.864 (S_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: 283 Temperature: 1.250000 Total energy: -42901.474839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42901.474839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.783512 (E_RNA) where: Base-Base interactions energy: -62.872 where: short stacking energy: -24.995 Base-Backbone interact. energy: -0.003 local terms energy: -23.908159 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -3.010 flat angles P-C4'-P energy: -1.027 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: -42814.691 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -42857.106889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42857.106889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.319061 (E_RNA) where: Base-Base interactions energy: -60.825 where: short stacking energy: -28.885 Base-Backbone interact. energy: -0.052 local terms energy: -32.441698 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: -42763.788 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -43005.282350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43005.282350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.741883 (E_RNA) where: Base-Base interactions energy: -63.976 where: short stacking energy: -34.766 Base-Backbone interact. energy: -0.306 local terms energy: -27.460384 where: bonds (distance) C4'-P energy: -3.403 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: -42913.540 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -44189.269721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44189.269721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.501327 (E_RNA) where: Base-Base interactions energy: -71.355 where: short stacking energy: -28.215 Base-Backbone interact. energy: -0.001 local terms energy: -31.145878 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: -44086.768 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -43894.142103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43894.142103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.356254 (E_RNA) where: Base-Base interactions energy: -66.962 where: short stacking energy: -20.582 Base-Backbone interact. energy: -0.946 local terms energy: -27.447742 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: -43798.786 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -43580.117267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43580.117267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.029414 (E_RNA) where: Base-Base interactions energy: -58.797 where: short stacking energy: -33.589 Base-Backbone interact. energy: -0.001 local terms energy: -34.231915 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: -43487.088 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -43319.098657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43319.098657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.939989 (E_RNA) where: Base-Base interactions energy: -66.447 where: short stacking energy: -33.413 Base-Backbone interact. energy: -0.000 local terms energy: -34.492676 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -0.079 tors. eta vs tors. theta energy: -9.599 Dist. restrs. and SS energy: -43218.159 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -43197.598439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43197.598439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.580703 (E_RNA) where: Base-Base interactions energy: -61.651 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.000 local terms energy: -26.929112 where: bonds (distance) C4'-P energy: -4.720 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: -43109.018 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -43056.006318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43056.006318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.508178 (E_RNA) where: Base-Base interactions energy: -58.699 where: short stacking energy: -25.904 Base-Backbone interact. energy: -0.152 local terms energy: -30.657506 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -1.291 tors. eta vs tors. theta energy: -6.406 Dist. restrs. and SS energy: -42966.498 (S_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: 284 Temperature: 1.200000 Total energy: -43025.502180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43025.502180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.397021 (E_RNA) where: Base-Base interactions energy: -66.004 where: short stacking energy: -21.275 Base-Backbone interact. energy: -0.004 local terms energy: -18.389255 where: bonds (distance) C4'-P energy: -1.763 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: 2.653 tors. eta vs tors. theta energy: -5.804 Dist. restrs. and SS energy: -42941.105 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -43002.694982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43002.694982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.786581 (E_RNA) where: Base-Base interactions energy: -60.038 where: short stacking energy: -26.774 Base-Backbone interact. energy: -0.010 local terms energy: -26.737902 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: -42915.908 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -43181.812996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43181.812996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.825403 (E_RNA) where: Base-Base interactions energy: -56.579 where: short stacking energy: -23.712 Base-Backbone interact. energy: 0.837 local terms energy: -32.083590 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: -43093.988 (S_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: 284 Temperature: 1.350000 Total energy: -43022.411742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43022.411742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.404269 (E_RNA) where: Base-Base interactions energy: -68.170 where: short stacking energy: -26.612 Base-Backbone interact. energy: -0.211 local terms energy: -25.023136 where: bonds (distance) C4'-P energy: -5.536 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: -42929.007 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -44311.327180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44311.327180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.289716 (E_RNA) where: Base-Base interactions energy: -67.465 where: short stacking energy: -28.656 Base-Backbone interact. energy: -0.004 local terms energy: -34.820611 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: -44209.037 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -43977.981379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43977.981379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.993379 (E_RNA) where: Base-Base interactions energy: -65.696 where: short stacking energy: -26.855 Base-Backbone interact. energy: -0.010 local terms energy: -31.288098 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: -43880.988 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -43711.685040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43711.685040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.431630 (E_RNA) where: Base-Base interactions energy: -69.656 where: short stacking energy: -29.794 Base-Backbone interact. energy: -0.000 local terms energy: -32.775333 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: -43609.253 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -43466.142415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43466.142415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.138039 (E_RNA) where: Base-Base interactions energy: -62.427 where: short stacking energy: -33.851 Base-Backbone interact. energy: -0.000 local terms energy: -32.710785 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -4.524 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: -43371.004 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -43322.153471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43322.153471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.508830 (E_RNA) where: Base-Base interactions energy: -67.978 where: short stacking energy: -29.994 Base-Backbone interact. energy: -0.002 local terms energy: -28.529615 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -4.447 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -7.764 Dist. restrs. and SS energy: -43225.645 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -43183.038417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43183.038417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.897855 (E_RNA) where: Base-Base interactions energy: -61.429 where: short stacking energy: -31.385 Base-Backbone interact. energy: -0.804 local terms energy: -23.664814 where: bonds (distance) C4'-P energy: -5.922 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -0.541 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: -43097.141 (S_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: 285 Temperature: 1.200000 Total energy: -43162.552945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43162.552945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.281957 (E_RNA) where: Base-Base interactions energy: -62.942 where: short stacking energy: -22.416 Base-Backbone interact. energy: -0.172 local terms energy: -20.168479 where: bonds (distance) C4'-P energy: -4.670 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -0.522 tors. eta vs tors. theta energy: -3.222 Dist. restrs. and SS energy: -43079.271 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -43353.841423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43353.841423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.955894 (E_RNA) where: Base-Base interactions energy: -58.114 where: short stacking energy: -26.954 Base-Backbone interact. energy: -0.002 local terms energy: -32.839760 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -8.979 Dist. restrs. and SS energy: -43262.886 (S_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: -43186.472473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43186.472473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.004898 (E_RNA) where: Base-Base interactions energy: -53.713 where: short stacking energy: -28.133 Base-Backbone interact. energy: -0.001 local terms energy: -33.291193 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -7.622 Dist. restrs. and SS energy: -43099.468 (S_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: 285 Temperature: 1.350000 Total energy: -43186.396638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43186.396638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.125895 (E_RNA) where: Base-Base interactions energy: -56.893 where: short stacking energy: -26.789 Base-Backbone interact. energy: -0.004 local terms energy: -34.228841 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: -43095.271 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -44391.518008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44391.518008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.449380 (E_RNA) where: Base-Base interactions energy: -65.578 where: short stacking energy: -23.688 Base-Backbone interact. energy: -0.001 local terms energy: -33.869555 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: -44292.069 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -44081.813357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44081.813357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.213361 (E_RNA) where: Base-Base interactions energy: -68.906 where: short stacking energy: -33.450 Base-Backbone interact. energy: -0.000 local terms energy: -35.307712 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: -43977.600 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -43810.588460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43810.588460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.627297 (E_RNA) where: Base-Base interactions energy: -70.094 where: short stacking energy: -28.043 Base-Backbone interact. energy: -0.002 local terms energy: -25.531454 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -4.429 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -0.885 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: -43714.961 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -43578.610961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43578.610961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.384280 (E_RNA) where: Base-Base interactions energy: -59.950 where: short stacking energy: -25.199 Base-Backbone interact. energy: -0.639 local terms energy: -27.795372 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -4.830 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: -43490.227 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -43439.524347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43439.524347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.895766 (E_RNA) where: Base-Base interactions energy: -66.450 where: short stacking energy: -28.392 Base-Backbone interact. energy: -0.662 local terms energy: -28.783666 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: -43343.629 (S_DIST_RNA) chem. 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: -43360.068100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43360.068100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.069049 (E_RNA) where: Base-Base interactions energy: -64.842 where: short stacking energy: -28.734 Base-Backbone interact. energy: -0.032 local terms energy: -23.195048 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -0.464 tors. eta vs tors. theta energy: -5.436 Dist. restrs. and SS energy: -43271.999 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -43572.417808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43572.417808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.396804 (E_RNA) where: Base-Base interactions energy: -57.184 where: short stacking energy: -20.631 Base-Backbone interact. energy: -0.213 local terms energy: -26.000356 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: -43489.021 (S_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: 286 Temperature: 1.250000 Total energy: -43365.261128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43365.261128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.020286 (E_RNA) where: Base-Base interactions energy: -56.611 where: short stacking energy: -23.628 Base-Backbone interact. energy: -0.003 local terms energy: -29.406728 where: bonds (distance) C4'-P energy: -2.074 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.582 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -6.577 Dist. restrs. and SS energy: -43279.241 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -43365.271213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43365.271213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.294010 (E_RNA) where: Base-Base interactions energy: -60.674 where: short stacking energy: -28.208 Base-Backbone interact. energy: -0.001 local terms energy: -30.619603 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: -43273.977 (S_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: -43377.210531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43377.210531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.697829 (E_RNA) where: Base-Base interactions energy: -59.891 where: short stacking energy: -32.177 Base-Backbone interact. energy: 0.815 local terms energy: -27.621843 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: -43290.513 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -44462.884582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44462.884582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.877594 (E_RNA) where: Base-Base interactions energy: -65.518 where: short stacking energy: -24.044 Base-Backbone interact. energy: -0.001 local terms energy: -35.358912 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -6.700 Dist. restrs. and SS energy: -44362.007 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -44217.202454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44217.202454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.647675 (E_RNA) where: Base-Base interactions energy: -67.087 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.000 local terms energy: -33.560193 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -6.844 Dist. restrs. and SS energy: -44116.555 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -43905.024571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43905.024571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.103406 (E_RNA) where: Base-Base interactions energy: -64.878 where: short stacking energy: -31.319 Base-Backbone interact. energy: -0.002 local terms energy: -33.223346 where: bonds (distance) C4'-P energy: -5.051 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -8.339 Dist. restrs. and SS energy: -43806.921 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -43719.116510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43719.116510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.585462 (E_RNA) where: Base-Base interactions energy: -63.434 where: short stacking energy: -34.255 Base-Backbone interact. energy: -0.001 local terms energy: -36.150860 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: -43619.531 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -43551.618063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43551.618063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.335673 (E_RNA) where: Base-Base interactions energy: -64.060 where: short stacking energy: -25.841 Base-Backbone interact. energy: -0.001 local terms energy: -31.274348 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: -43456.282 (S_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: 287 Temperature: 1.150000 Total energy: -43702.266694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43702.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.337770 (E_RNA) where: Base-Base interactions energy: -66.294 where: short stacking energy: -26.335 Base-Backbone interact. energy: -0.005 local terms energy: -24.038739 where: bonds (distance) C4'-P energy: -0.211 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: -43611.929 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -43509.310391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43509.310391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.339960 (E_RNA) where: Base-Base interactions energy: -52.068 where: short stacking energy: -26.623 Base-Backbone interact. energy: -0.059 local terms energy: -27.212886 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -0.174 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: -43429.970 (S_DIST_RNA) chem. 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: -43509.466089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43509.466089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.900796 (E_RNA) where: Base-Base interactions energy: -56.722 where: short stacking energy: -18.968 Base-Backbone interact. energy: -0.550 local terms energy: -30.628004 where: bonds (distance) C4'-P energy: -3.763 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: -43421.565 (S_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: 287 Temperature: 1.300000 Total energy: -43524.624236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43524.624236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.465622 (E_RNA) where: Base-Base interactions energy: -65.569 where: short stacking energy: -33.221 Base-Backbone interact. energy: -0.002 local terms energy: -26.894020 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: -43432.159 (S_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: -43692.982213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43692.982213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.809855 (E_RNA) where: Base-Base interactions energy: -44.816 where: short stacking energy: -15.957 Base-Backbone interact. energy: 0.873 local terms energy: -23.867304 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.368 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: -43625.172 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -44562.454509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44562.454509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.849392 (E_RNA) where: Base-Base interactions energy: -62.476 where: short stacking energy: -29.718 Base-Backbone interact. energy: -0.001 local terms energy: -37.372943 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: -44462.605 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -44324.680790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44324.680790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.562935 (E_RNA) where: Base-Base interactions energy: -66.085 where: short stacking energy: -33.458 Base-Backbone interact. energy: -1.021 local terms energy: -31.456344 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.983 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -8.210 Dist. restrs. and SS energy: -44226.118 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -44022.477416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44022.477416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.289497 (E_RNA) where: Base-Base interactions energy: -66.661 where: short stacking energy: -31.312 Base-Backbone interact. energy: -0.002 local terms energy: -30.626481 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -4.567 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -7.950 Dist. restrs. and SS energy: -43925.188 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -43820.821476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43820.821476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.474071 (E_RNA) where: Base-Base interactions energy: -61.282 where: short stacking energy: -26.126 Base-Backbone interact. energy: -0.008 local terms energy: -34.184406 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -7.601 Dist. restrs. and SS energy: -43725.347 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -43815.293704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43815.293704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.707652 (E_RNA) where: Base-Base interactions energy: -63.955 where: short stacking energy: -24.132 Base-Backbone interact. energy: -0.985 local terms energy: -31.767698 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: -43718.586 (S_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: 288 Temperature: 1.150000 Total energy: -43706.852483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43706.852483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.732842 (E_RNA) where: Base-Base interactions energy: -66.973 where: short stacking energy: -35.617 Base-Backbone interact. energy: -0.634 local terms energy: -32.126168 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -7.537 Dist. restrs. and SS energy: -43607.120 (S_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: 288 Temperature: 1.200000 Total energy: -43636.568007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43636.568007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.833816 (E_RNA) where: Base-Base interactions energy: -66.326 where: short stacking energy: -32.270 Base-Backbone interact. energy: -1.497 local terms energy: -29.010683 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -8.037 Dist. restrs. and SS energy: -43539.734 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -43694.963456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43694.963456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.810704 (E_RNA) where: Base-Base interactions energy: -56.063 where: short stacking energy: -23.194 Base-Backbone interact. energy: -0.007 local terms energy: -32.741190 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: -43606.153 (S_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: 288 Temperature: 1.300000 Total energy: -44082.801571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44082.801571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.502630 (E_RNA) where: Base-Base interactions energy: -59.426 where: short stacking energy: -24.283 Base-Backbone interact. energy: -0.001 local terms energy: -32.075824 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: -43991.299 (S_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: 288 Temperature: 1.350000 Total energy: -43686.177421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43686.177421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.897210 (E_RNA) where: Base-Base interactions energy: -56.610 where: short stacking energy: -22.817 Base-Backbone interact. energy: -1.057 local terms energy: -30.230053 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: -43598.280 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -44678.152914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44678.152914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.766138 (E_RNA) where: Base-Base interactions energy: -70.970 where: short stacking energy: -29.317 Base-Backbone interact. energy: -0.001 local terms energy: -29.795614 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: -44577.387 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -44426.492932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44426.492932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.346431 (E_RNA) where: Base-Base interactions energy: -63.459 where: short stacking energy: -27.849 Base-Backbone interact. energy: -0.002 local terms energy: -31.884726 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: -44331.147 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -44170.496223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44170.496223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.004720 (E_RNA) where: Base-Base interactions energy: -69.393 where: short stacking energy: -33.256 Base-Backbone interact. energy: -0.685 local terms energy: -35.926260 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -7.969 Dist. restrs. and SS energy: -44064.492 (S_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: 289 Temperature: 1.050000 Total energy: -43912.003169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43912.003169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.733936 (E_RNA) where: Base-Base interactions energy: -65.773 where: short stacking energy: -33.827 Base-Backbone interact. energy: -0.150 local terms energy: -30.811745 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: -43815.269 (S_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: 289 Temperature: 1.100000 Total energy: -43937.222687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43937.222687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.044100 (E_RNA) where: Base-Base interactions energy: -66.140 where: short stacking energy: -23.870 Base-Backbone interact. energy: -0.053 local terms energy: -26.850823 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -5.006 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: -43844.179 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -43849.065111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43849.065111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.943264 (E_RNA) where: Base-Base interactions energy: -64.691 where: short stacking energy: -29.573 Base-Backbone interact. energy: -0.000 local terms energy: -25.252268 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -6.909 Dist. restrs. and SS energy: -43759.122 (S_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: 289 Temperature: 1.200000 Total energy: -43786.130303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43786.130303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.261956 (E_RNA) where: Base-Base interactions energy: -62.547 where: short stacking energy: -24.890 Base-Backbone interact. energy: -0.003 local terms energy: -26.711923 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -4.365 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: -43696.868 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -44281.091487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44281.091487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.876683 (E_RNA) where: Base-Base interactions energy: -74.556 where: short stacking energy: -23.931 Base-Backbone interact. energy: 0.727 local terms energy: -20.047055 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -1.375 flat angles P-C4'-P energy: -0.709 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: -44187.215 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -43828.657887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43828.657887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.756289 (E_RNA) where: Base-Base interactions energy: -60.761 where: short stacking energy: -28.895 Base-Backbone interact. energy: -0.492 local terms energy: -30.503756 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: 0.240 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: -43736.902 (S_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: 289 Temperature: 1.350000 Total energy: -43833.167703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43833.167703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.621982 (E_RNA) where: Base-Base interactions energy: -66.788 where: short stacking energy: -36.964 Base-Backbone interact. energy: -0.000 local terms energy: -26.833264 where: bonds (distance) C4'-P energy: -3.457 bonds (distance) P-C4' energy: -6.064 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: 0.253 tors. eta vs tors. theta energy: -9.633 Dist. restrs. and SS energy: -43739.546 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -44759.967774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44759.967774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.120488 (E_RNA) where: Base-Base interactions energy: -64.798 where: short stacking energy: -29.365 Base-Backbone interact. energy: -0.979 local terms energy: -35.343724 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -9.312 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: -44658.847 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -44538.675021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44538.675021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.696983 (E_RNA) where: Base-Base interactions energy: -64.561 where: short stacking energy: -32.828 Base-Backbone interact. energy: -0.000 local terms energy: -34.136060 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -7.508 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -8.570 Dist. restrs. and SS energy: -44439.978 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -44293.274015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44293.274015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.855467 (E_RNA) where: Base-Base interactions energy: -57.555 where: short stacking energy: -26.422 Base-Backbone interact. energy: -0.007 local terms energy: -33.293631 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: -44202.419 (S_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: 290 Temperature: 1.050000 Total energy: -44018.405169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44018.405169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.796912 (E_RNA) where: Base-Base interactions energy: -64.016 where: short stacking energy: -30.040 Base-Backbone interact. energy: 0.525 local terms energy: -28.306022 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: -43926.608 (S_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: 290 Temperature: 1.100000 Total energy: -44049.310516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44049.310516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.986845 (E_RNA) where: Base-Base interactions energy: -66.677 where: short stacking energy: -19.634 Base-Backbone interact. energy: -0.035 local terms energy: -22.274408 where: bonds (distance) C4'-P energy: -4.935 bonds (distance) P-C4' energy: -5.313 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: -43960.324 (S_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: 290 Temperature: 1.150000 Total energy: -43973.040786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43973.040786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.036173 (E_RNA) where: Base-Base interactions energy: -63.104 where: short stacking energy: -25.411 Base-Backbone interact. energy: -0.040 local terms energy: -27.892860 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -5.353 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: -43882.005 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -44438.259300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44438.259300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.206721 (E_RNA) where: Base-Base interactions energy: -60.904 where: short stacking energy: -31.316 Base-Backbone interact. energy: -0.001 local terms energy: -29.302211 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: -44348.053 (S_DIST_RNA) chem. 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: -43956.758304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43956.758304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.466851 (E_RNA) where: Base-Base interactions energy: -58.317 where: short stacking energy: -21.227 Base-Backbone interact. energy: -0.035 local terms energy: -30.115610 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: -43868.291 (S_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: 290 Temperature: 1.300000 Total energy: -44014.187655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44014.187655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.773896 (E_RNA) where: Base-Base interactions energy: -69.124 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.019 local terms energy: -21.630882 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: -43923.414 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -44002.647439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44002.647439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.606645 (E_RNA) where: Base-Base interactions energy: -62.346 where: short stacking energy: -18.859 Base-Backbone interact. energy: 0.311 local terms energy: -20.571156 where: bonds (distance) C4'-P energy: -3.049 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -2.573 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: -43920.041 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -44855.322568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44855.322568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.568778 (E_RNA) where: Base-Base interactions energy: -68.995 where: short stacking energy: -27.311 Base-Backbone interact. energy: -0.003 local terms energy: -28.571101 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -3.095 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -8.051 Dist. restrs. and SS energy: -44757.754 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -44665.035668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44665.035668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.731472 (E_RNA) where: Base-Base interactions energy: -68.637 where: short stacking energy: -34.123 Base-Backbone interact. energy: -0.001 local terms energy: -38.093576 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -9.224 Dist. restrs. and SS energy: -44558.304 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -44407.428315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44407.428315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.771542 (E_RNA) where: Base-Base interactions energy: -61.374 where: short stacking energy: -27.652 Base-Backbone interact. energy: -1.428 local terms energy: -30.968901 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: -44313.657 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -44198.864587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44198.864587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.575612 (E_RNA) where: Base-Base interactions energy: -67.933 where: short stacking energy: -37.946 Base-Backbone interact. energy: -0.000 local terms energy: -34.642487 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -7.095 Dist. restrs. and SS energy: -44096.289 (S_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: 291 Temperature: 1.100000 Total energy: -44157.738977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44157.738977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.524753 (E_RNA) where: Base-Base interactions energy: -57.678 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.000 local terms energy: -35.846360 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: -44064.214 (S_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: 291 Temperature: 1.150000 Total energy: -44583.978722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44583.978722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.729231 (E_RNA) where: Base-Base interactions energy: -66.010 where: short stacking energy: -22.051 Base-Backbone interact. energy: -0.006 local terms energy: -24.713278 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: -44493.249 (S_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: 291 Temperature: 1.200000 Total energy: -44124.524654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44124.524654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.993471 (E_RNA) where: Base-Base interactions energy: -64.031 where: short stacking energy: -25.963 Base-Backbone interact. energy: -0.022 local terms energy: -28.940074 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: -44031.531 (S_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: 291 Temperature: 1.250000 Total energy: -44209.845645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44209.845645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.469659 (E_RNA) where: Base-Base interactions energy: -54.120 where: short stacking energy: -18.356 Base-Backbone interact. energy: -0.032 local terms energy: -25.317514 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: -44130.376 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -44153.107841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44153.107841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.905388 (E_RNA) where: Base-Base interactions energy: -62.687 where: short stacking energy: -23.423 Base-Backbone interact. energy: -0.007 local terms energy: -24.211889 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -1.206 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: -44066.202 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -44180.659459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44180.659459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.776859 (E_RNA) where: Base-Base interactions energy: -62.969 where: short stacking energy: -31.660 Base-Backbone interact. energy: -0.008 local terms energy: -33.800355 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -8.178 Dist. restrs. and SS energy: -44083.883 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -44955.301802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44955.301802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.278015 (E_RNA) where: Base-Base interactions energy: -66.060 where: short stacking energy: -33.055 Base-Backbone interact. energy: -0.001 local terms energy: -33.216693 where: bonds (distance) C4'-P energy: -7.277 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -8.150 Dist. restrs. and SS energy: -44856.024 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -44776.113956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44776.113956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.605765 (E_RNA) where: Base-Base interactions energy: -64.294 where: short stacking energy: -31.227 Base-Backbone interact. energy: -0.006 local terms energy: -32.305600 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -7.208 Dist. restrs. and SS energy: -44679.508 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -44535.208564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44535.208564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.333371 (E_RNA) where: Base-Base interactions energy: -65.403 where: short stacking energy: -26.967 Base-Backbone interact. energy: -0.005 local terms energy: -33.926026 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: -44435.875 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -44306.656400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44306.656400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.599445 (E_RNA) where: Base-Base interactions energy: -69.088 where: short stacking energy: -31.189 Base-Backbone interact. energy: -0.000 local terms energy: -25.511043 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: -44212.057 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -44734.897525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44734.897525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.010508 (E_RNA) where: Base-Base interactions energy: -63.252 where: short stacking energy: -32.746 Base-Backbone interact. energy: -0.648 local terms energy: -33.109881 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: -44637.887 (S_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: 292 Temperature: 1.150000 Total energy: -44300.065189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44300.065189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.087511 (E_RNA) where: Base-Base interactions energy: -63.592 where: short stacking energy: -18.893 Base-Backbone interact. energy: 0.325 local terms energy: -21.820692 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -1.083 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: -44214.978 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -44367.200131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44367.200131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.847100 (E_RNA) where: Base-Base interactions energy: -63.572 where: short stacking energy: -26.081 Base-Backbone interact. energy: -0.137 local terms energy: -23.138341 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -1.263 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: -44280.353 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -44286.230616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44286.230616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.148208 (E_RNA) where: Base-Base interactions energy: -68.151 where: short stacking energy: -26.444 Base-Backbone interact. energy: -0.002 local terms energy: -21.994658 where: bonds (distance) C4'-P energy: -5.311 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -2.659 flat angles P-C4'-P energy: -1.738 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: -44196.082 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -44339.346955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44339.346955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.852119 (E_RNA) where: Base-Base interactions energy: -60.098 where: short stacking energy: -27.460 Base-Backbone interact. energy: -0.053 local terms energy: -23.701300 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: -44255.495 (S_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: 292 Temperature: 1.350000 Total energy: -44404.492268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44404.492268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.603059 (E_RNA) where: Base-Base interactions energy: -58.711 where: short stacking energy: -24.682 Base-Backbone interact. energy: -0.004 local terms energy: -25.888146 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: -44319.889 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -45045.626881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45045.626881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.299059 (E_RNA) where: Base-Base interactions energy: -67.757 where: short stacking energy: -31.005 Base-Backbone interact. energy: -0.000 local terms energy: -35.541672 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -9.516 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -8.071 Dist. restrs. and SS energy: -44942.328 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -44882.629149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44882.629149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.536091 (E_RNA) where: Base-Base interactions energy: -64.972 where: short stacking energy: -34.296 Base-Backbone interact. energy: -0.002 local terms energy: -35.562155 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -7.226 Dist. restrs. and SS energy: -44782.093 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -44646.317437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44646.317437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.240165 (E_RNA) where: Base-Base interactions energy: -69.635 where: short stacking energy: -35.452 Base-Backbone interact. energy: -0.009 local terms energy: -33.595919 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: -44543.077 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -44852.999495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44852.999495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.523578 (E_RNA) where: Base-Base interactions energy: -63.045 where: short stacking energy: -27.695 Base-Backbone interact. energy: -0.000 local terms energy: -34.478431 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.729 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -7.598 Dist. restrs. and SS energy: -44755.476 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -44416.376281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44416.376281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.384717 (E_RNA) where: Base-Base interactions energy: -56.580 where: short stacking energy: -28.426 Base-Backbone interact. energy: -0.006 local terms energy: -26.799411 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -1.669 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -7.255 Dist. restrs. and SS energy: -44332.992 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -44501.567576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44501.567576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.587309 (E_RNA) where: Base-Base interactions energy: -62.439 where: short stacking energy: -19.531 Base-Backbone interact. energy: -0.194 local terms energy: -19.953680 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -5.894 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: -44418.980 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -44437.459139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44437.459139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.806692 (E_RNA) where: Base-Base interactions energy: -66.758 where: short stacking energy: -27.815 Base-Backbone interact. energy: -0.000 local terms energy: -28.048659 where: bonds (distance) C4'-P energy: -2.327 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -8.122 Dist. restrs. and SS energy: -44342.652 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -44489.745789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44489.745789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.258780 (E_RNA) where: Base-Base interactions energy: -59.566 where: short stacking energy: -21.360 Base-Backbone interact. energy: -0.020 local terms energy: -28.672713 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: -44401.487 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -44454.073385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44454.073385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.638669 (E_RNA) where: Base-Base interactions energy: -49.192 where: short stacking energy: -19.216 Base-Backbone interact. energy: -0.256 local terms energy: -28.190624 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: -44376.435 (S_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: 293 Temperature: 1.350000 Total energy: -44550.544701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44550.544701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.322082 (E_RNA) where: Base-Base interactions energy: -43.012 where: short stacking energy: -14.673 Base-Backbone interact. energy: -0.310 local terms energy: -22.000124 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.014 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: -44485.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -45154.843680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45154.843680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.251964 (E_RNA) where: Base-Base interactions energy: -67.299 where: short stacking energy: -25.477 Base-Backbone interact. energy: 0.058 local terms energy: -31.010737 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: -45056.592 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -45001.467669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45001.467669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.476830 (E_RNA) where: Base-Base interactions energy: -70.818 where: short stacking energy: -27.126 Base-Backbone interact. energy: -0.002 local terms energy: -31.656606 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -7.938 Dist. restrs. and SS energy: -44898.991 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -44991.105200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44991.105200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.104325 (E_RNA) where: Base-Base interactions energy: -66.783 where: short stacking energy: -32.074 Base-Backbone interact. energy: -0.000 local terms energy: -35.321741 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: -44889.001 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -44793.909913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44793.909913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.299596 (E_RNA) where: Base-Base interactions energy: -66.614 where: short stacking energy: -33.053 Base-Backbone interact. energy: -0.000 local terms energy: -30.685157 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: -44696.610 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -44614.382265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44614.382265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.643508 (E_RNA) where: Base-Base interactions energy: -63.968 where: short stacking energy: -24.301 Base-Backbone interact. energy: 0.363 local terms energy: -23.038250 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -0.666 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: -44527.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -44580.393668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44580.393668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.429953 (E_RNA) where: Base-Base interactions energy: -66.133 where: short stacking energy: -33.411 Base-Backbone interact. energy: -0.000 local terms energy: -31.296599 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.647 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -9.148 Dist. restrs. and SS energy: -44482.964 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -44611.901918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44611.901918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.207411 (E_RNA) where: Base-Base interactions energy: -55.237 where: short stacking energy: -26.406 Base-Backbone interact. energy: -0.077 local terms energy: -24.893269 where: bonds (distance) C4'-P energy: -6.765 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -0.665 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: -44531.695 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -44616.203998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44616.203998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.227138 (E_RNA) where: Base-Base interactions energy: -62.088 where: short stacking energy: -29.302 Base-Backbone interact. energy: -0.013 local terms energy: -23.125998 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: 0.339 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: -44530.977 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -44794.246460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44794.246460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.854743 (E_RNA) where: Base-Base interactions energy: -63.599 where: short stacking energy: -21.161 Base-Backbone interact. energy: -0.002 local terms energy: -30.253510 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -1.250 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: -44700.392 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -44628.523886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44628.523886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.508935 (E_RNA) where: Base-Base interactions energy: -54.906 where: short stacking energy: -26.211 Base-Backbone interact. energy: 0.281 local terms energy: -16.883853 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -0.636 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: -44557.015 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -45256.397737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45256.397737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.195122 (E_RNA) where: Base-Base interactions energy: -63.639 where: short stacking energy: -25.708 Base-Backbone interact. energy: -0.003 local terms energy: -32.553088 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -7.027 Dist. restrs. and SS energy: -45160.203 (S_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: 295 Temperature: 0.950000 Total energy: -45094.195050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45094.195050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.182851 (E_RNA) where: Base-Base interactions energy: -75.226 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.005 local terms energy: -29.951291 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: -44989.012 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -45091.987563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45091.987563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.271106 (E_RNA) where: Base-Base interactions energy: -62.214 where: short stacking energy: -25.347 Base-Backbone interact. energy: -0.053 local terms energy: -32.003975 where: bonds (distance) C4'-P energy: -3.112 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -7.716 Dist. restrs. and SS energy: -44997.716 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -44886.438665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44886.438665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.037767 (E_RNA) where: Base-Base interactions energy: -66.301 where: short stacking energy: -33.730 Base-Backbone interact. energy: -0.002 local terms energy: -28.733826 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: -44791.401 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -44751.440212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44751.440212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.252360 (E_RNA) where: Base-Base interactions energy: -71.940 where: short stacking energy: -35.789 Base-Backbone interact. energy: -0.000 local terms energy: -33.312371 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: -44646.188 (S_DIST_RNA) chem. 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: -44770.540654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44770.540654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.157013 (E_RNA) where: Base-Base interactions energy: -62.389 where: short stacking energy: -26.457 Base-Backbone interact. energy: -0.223 local terms energy: -26.545390 where: bonds (distance) C4'-P energy: -3.072 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: -44681.384 (S_DIST_RNA) chem. 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: -44740.384617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44740.384617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.672996 (E_RNA) where: Base-Base interactions energy: -58.667 where: short stacking energy: -19.382 Base-Backbone interact. energy: -0.450 local terms energy: -30.555240 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: -44650.712 (S_DIST_RNA) chem. 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: -44984.656981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44984.656981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.926291 (E_RNA) where: Base-Base interactions energy: -62.082 where: short stacking energy: -31.375 Base-Backbone interact. energy: -0.001 local terms energy: -33.843413 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -9.112 Dist. restrs. and SS energy: -44888.731 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -44767.929162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44767.929162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.638321 (E_RNA) where: Base-Base interactions energy: -63.116 where: short stacking energy: -31.928 Base-Backbone interact. energy: -0.000 local terms energy: -28.522010 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -4.584 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: -44676.291 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -44879.275657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44879.275657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.987802 (E_RNA) where: Base-Base interactions energy: -57.180 where: short stacking energy: -18.829 Base-Backbone interact. energy: -0.001 local terms energy: -24.807153 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -2.193 flat angles P-C4'-P energy: 0.684 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: -44797.288 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -45361.493521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45361.493521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.372413 (E_RNA) where: Base-Base interactions energy: -64.404 where: short stacking energy: -27.738 Base-Backbone interact. energy: -0.185 local terms energy: -31.783640 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: -45265.121 (S_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: 296 Temperature: 0.950000 Total energy: -45189.076389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45189.076389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.343904 (E_RNA) where: Base-Base interactions energy: -62.229 where: short stacking energy: -33.794 Base-Backbone interact. energy: -1.002 local terms energy: -32.113003 where: bonds (distance) C4'-P energy: -4.032 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -8.957 Dist. restrs. and SS energy: -45093.732 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -45197.749195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45197.749195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.962079 (E_RNA) where: Base-Base interactions energy: -63.269 where: short stacking energy: -27.845 Base-Backbone interact. energy: -0.994 local terms energy: -35.698999 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: -45097.787 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -45011.891256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45011.891256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.150020 (E_RNA) where: Base-Base interactions energy: -67.305 where: short stacking energy: -34.553 Base-Backbone interact. energy: -0.000 local terms energy: -34.844529 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -9.106 Dist. restrs. and SS energy: -44909.741 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -44877.834777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44877.834777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.921428 (E_RNA) where: Base-Base interactions energy: -58.859 where: short stacking energy: -24.774 Base-Backbone interact. energy: -0.002 local terms energy: -34.059785 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: -44784.913 (S_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: 296 Temperature: 1.150000 Total energy: -44870.327154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44870.327154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.355576 (E_RNA) where: Base-Base interactions energy: -66.095 where: short stacking energy: -36.224 Base-Backbone interact. energy: -1.182 local terms energy: -29.078684 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: -44773.972 (S_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: 296 Temperature: 1.200000 Total energy: -45142.233656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45142.233656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.859225 (E_RNA) where: Base-Base interactions energy: -58.201 where: short stacking energy: -21.433 Base-Backbone interact. energy: -0.075 local terms energy: -28.583104 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: -45055.374 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -44947.715606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44947.715606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.055909 (E_RNA) where: Base-Base interactions energy: -56.945 where: short stacking energy: -21.921 Base-Backbone interact. energy: -0.308 local terms energy: -27.803125 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: -44862.660 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -45088.878112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45088.878112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.588694 (E_RNA) where: Base-Base interactions energy: -58.041 where: short stacking energy: -21.938 Base-Backbone interact. energy: -0.030 local terms energy: -24.517733 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: -45006.289 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -44914.448039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44914.448039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.557018 (E_RNA) where: Base-Base interactions energy: -55.052 where: short stacking energy: -27.761 Base-Backbone interact. energy: -0.002 local terms energy: -28.502590 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -6.110 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: -44830.891 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -45453.104540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45453.104540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.457084 (E_RNA) where: Base-Base interactions energy: -60.454 where: short stacking energy: -29.018 Base-Backbone interact. energy: -0.000 local terms energy: -39.002551 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -8.172 Dist. restrs. and SS energy: -45353.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -45284.948094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45284.948094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.702147 (E_RNA) where: Base-Base interactions energy: -65.820 where: short stacking energy: -27.403 Base-Backbone interact. energy: -1.177 local terms energy: -28.705248 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: -45189.246 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -45313.172893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45313.172893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.804101 (E_RNA) where: Base-Base interactions energy: -66.303 where: short stacking energy: -37.309 Base-Backbone interact. energy: -0.000 local terms energy: -32.501460 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -7.235 Dist. restrs. and SS energy: -45214.369 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -45152.663654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45152.663654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.004341 (E_RNA) where: Base-Base interactions energy: -58.268 where: short stacking energy: -27.537 Base-Backbone interact. energy: -0.994 local terms energy: -34.742404 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -7.841 Dist. restrs. and SS energy: -45058.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -44992.734436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44992.734436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.096774 (E_RNA) where: Base-Base interactions energy: -63.102 where: short stacking energy: -26.775 Base-Backbone interact. energy: -0.158 local terms energy: -29.837224 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: -44899.638 (S_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: 297 Temperature: 1.150000 Total energy: -45263.661517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45263.661517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.425946 (E_RNA) where: Base-Base interactions energy: -59.790 where: short stacking energy: -27.340 Base-Backbone interact. energy: 0.414 local terms energy: -29.050034 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -2.654 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -6.948 Dist. restrs. and SS energy: -45175.236 (S_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: 297 Temperature: 1.200000 Total energy: -45008.390802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45008.390802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.153639 (E_RNA) where: Base-Base interactions energy: -61.205 where: short stacking energy: -26.669 Base-Backbone interact. energy: -0.013 local terms energy: -29.935298 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: -44917.237 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -45259.782456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45259.782456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.900326 (E_RNA) where: Base-Base interactions energy: -55.074 where: short stacking energy: -24.339 Base-Backbone interact. energy: -0.010 local terms energy: -31.816096 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: -45172.882 (S_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: 297 Temperature: 1.300000 Total energy: -45097.184398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45097.184398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.218052 (E_RNA) where: Base-Base interactions energy: -67.607 where: short stacking energy: -26.651 Base-Backbone interact. energy: 0.104 local terms energy: -27.715007 where: bonds (distance) C4'-P energy: -6.759 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: -45001.966 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -45081.831539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45081.831539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.063962 (E_RNA) where: Base-Base interactions energy: -61.778 where: short stacking energy: -20.300 Base-Backbone interact. energy: -0.020 local terms energy: -17.265779 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -4.549 flat angles C4'-P-C4' energy: 1.328 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: -45002.768 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -45557.382332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45557.382332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.429951 (E_RNA) where: Base-Base interactions energy: -63.906 where: short stacking energy: -28.693 Base-Backbone interact. energy: -0.000 local terms energy: -36.523572 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: -45456.952 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -45392.322531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45392.322531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.383479 (E_RNA) where: Base-Base interactions energy: -65.049 where: short stacking energy: -30.054 Base-Backbone interact. energy: -0.000 local terms energy: -33.334094 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -8.253 Dist. restrs. and SS energy: -45293.939 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -45419.570335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45419.570335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.262364 (E_RNA) where: Base-Base interactions energy: -63.354 where: short stacking energy: -29.782 Base-Backbone interact. energy: -0.675 local terms energy: -34.234026 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -7.130 Dist. restrs. and SS energy: -45321.308 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -45301.087445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45301.087445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.439792 (E_RNA) where: Base-Base interactions energy: -61.525 where: short stacking energy: -22.909 Base-Backbone interact. energy: -0.003 local terms energy: -34.911660 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -7.705 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: -45204.648 (S_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: 298 Temperature: 1.100000 Total energy: -45400.873537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45400.873537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.805524 (E_RNA) where: Base-Base interactions energy: -65.812 where: short stacking energy: -27.743 Base-Backbone interact. energy: -0.000 local terms energy: -35.993188 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: -45299.068 (S_DIST_RNA) chem. 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: -45159.054765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45159.054765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.979561 (E_RNA) where: Base-Base interactions energy: -74.488 where: short stacking energy: -29.544 Base-Backbone interact. energy: 1.138 local terms energy: -26.629498 where: bonds (distance) C4'-P energy: -2.685 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: -45059.075 (S_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: 298 Temperature: 1.200000 Total energy: -45425.295810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45425.295810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.476198 (E_RNA) where: Base-Base interactions energy: -60.381 where: short stacking energy: -27.294 Base-Backbone interact. energy: -0.001 local terms energy: -35.093878 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -7.362 Dist. restrs. and SS energy: -45329.820 (S_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: 298 Temperature: 1.250000 Total energy: -45160.867220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45160.867220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.441032 (E_RNA) where: Base-Base interactions energy: -58.244 where: short stacking energy: -30.418 Base-Backbone interact. energy: -0.004 local terms energy: -36.193242 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -8.101 Dist. restrs. and SS energy: -45066.426 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -45302.892077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45302.892077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.085659 (E_RNA) where: Base-Base interactions energy: -62.298 where: short stacking energy: -19.119 Base-Backbone interact. energy: -0.004 local terms energy: -26.783514 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -8.121 Dist. restrs. and SS energy: -45213.806 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -45502.819562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45502.819562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.538497 (E_RNA) where: Base-Base interactions energy: -63.617 where: short stacking energy: -22.439 Base-Backbone interact. energy: -0.083 local terms energy: -18.838135 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.090 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: 1.538 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: -45420.281 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -45681.021998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45681.021998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.970225 (E_RNA) where: Base-Base interactions energy: -67.393 where: short stacking energy: -23.722 Base-Backbone interact. energy: -0.000 local terms energy: -34.577165 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: -45579.052 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -45531.645329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45531.645329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.287038 (E_RNA) where: Base-Base interactions energy: -68.022 where: short stacking energy: -25.883 Base-Backbone interact. energy: -0.003 local terms energy: -27.261790 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.154 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -0.399 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: -45436.358 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -45506.248122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45506.248122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.183293 (E_RNA) where: Base-Base interactions energy: -62.003 where: short stacking energy: -23.874 Base-Backbone interact. energy: -0.130 local terms energy: -31.050243 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: -45413.065 (S_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: 299 Temperature: 1.050000 Total energy: -45510.736129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45510.736129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.419131 (E_RNA) where: Base-Base interactions energy: -67.567 where: short stacking energy: -31.850 Base-Backbone interact. energy: -0.140 local terms energy: -29.711611 where: bonds (distance) C4'-P energy: -2.964 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -9.369 Dist. restrs. and SS energy: -45413.317 (S_DIST_RNA) chem. 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: -45465.874130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45465.874130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.524708 (E_RNA) where: Base-Base interactions energy: -67.009 where: short stacking energy: -35.230 Base-Backbone interact. energy: -0.001 local terms energy: -29.515481 where: bonds (distance) C4'-P energy: -4.142 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: -45369.349 (S_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: 299 Temperature: 1.150000 Total energy: -45557.141839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45557.141839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.357189 (E_RNA) where: Base-Base interactions energy: -64.484 where: short stacking energy: -32.275 Base-Backbone interact. energy: -0.002 local terms energy: -33.871485 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -8.601 Dist. restrs. and SS energy: -45458.785 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -45300.512108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45300.512108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.844576 (E_RNA) where: Base-Base interactions energy: -62.265 where: short stacking energy: -29.639 Base-Backbone interact. energy: -0.008 local terms energy: -29.571385 where: bonds (distance) C4'-P energy: -3.192 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -8.085 Dist. restrs. and SS energy: -45208.668 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -45455.890710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45455.890710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.742146 (E_RNA) where: Base-Base interactions energy: -55.762 where: short stacking energy: -26.372 Base-Backbone interact. energy: -0.000 local terms energy: -29.979577 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: 1.489 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: -45370.149 (S_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: 299 Temperature: 1.300000 Total energy: -45301.624826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45301.624826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.517916 (E_RNA) where: Base-Base interactions energy: -62.678 where: short stacking energy: -21.072 Base-Backbone interact. energy: -0.000 local terms energy: -21.839670 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -2.675 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: -45217.107 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -45791.701948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45791.701948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.208246 (E_RNA) where: Base-Base interactions energy: -51.123 where: short stacking energy: -16.917 Base-Backbone interact. energy: -0.195 local terms energy: -15.890455 where: bonds (distance) C4'-P energy: -0.472 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -0.584 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -5.395 Dist. restrs. and SS energy: -45724.494 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -45820.423575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45820.423575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.736742 (E_RNA) where: Base-Base interactions energy: -60.774 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.463 local terms energy: -32.499563 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -5.833 Dist. restrs. and SS energy: -45726.687 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -45638.738529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45638.738529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.524800 (E_RNA) where: Base-Base interactions energy: -58.463 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.005 local terms energy: -36.056143 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -7.550 Dist. restrs. and SS energy: -45544.214 (S_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: 300 Temperature: 1.000000 Total energy: -45640.892306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45640.892306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.325618 (E_RNA) where: Base-Base interactions energy: -75.398 where: short stacking energy: -22.734 Base-Backbone interact. energy: -0.011 local terms energy: -28.916588 where: bonds (distance) C4'-P energy: -5.208 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: -45536.567 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -45630.052244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45630.052244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.257337 (E_RNA) where: Base-Base interactions energy: -68.145 where: short stacking energy: -36.385 Base-Backbone interact. energy: -0.001 local terms energy: -34.111955 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: -45527.795 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -45670.679944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45670.679944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.632279 (E_RNA) where: Base-Base interactions energy: -65.946 where: short stacking energy: -29.681 Base-Backbone interact. energy: -0.001 local terms energy: -32.684899 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: -45572.048 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -45585.863568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45585.863568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.158478 (E_RNA) where: Base-Base interactions energy: -64.841 where: short stacking energy: -28.357 Base-Backbone interact. energy: -0.011 local terms energy: -28.306198 where: bonds (distance) C4'-P energy: -3.865 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: -45492.705 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -45657.201591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45657.201591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.403960 (E_RNA) where: Base-Base interactions energy: -58.525 where: short stacking energy: -25.729 Base-Backbone interact. energy: -0.058 local terms energy: -29.820503 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: -45568.798 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -45448.263884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45448.263884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.415792 (E_RNA) where: Base-Base interactions energy: -61.281 where: short stacking energy: -33.038 Base-Backbone interact. energy: -1.317 local terms energy: -30.817347 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: -45354.848 (S_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: 300 Temperature: 1.300000 Total energy: -46241.402622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46241.402622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.480352 (E_RNA) where: Base-Base interactions energy: -60.699 where: short stacking energy: -23.206 Base-Backbone interact. energy: -0.076 local terms energy: -23.705487 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -1.520 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: -46156.922 (S_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: 300 Temperature: 1.350000 Total energy: -45476.128262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45476.128262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.572185 (E_RNA) where: Base-Base interactions energy: -52.552 where: short stacking energy: -21.448 Base-Backbone interact. energy: -0.040 local terms energy: -19.979495 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: -45403.556 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -45929.403053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45929.403053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.242299 (E_RNA) where: Base-Base interactions energy: -62.589 where: short stacking energy: -31.337 Base-Backbone interact. energy: -0.001 local terms energy: -36.652461 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: -45830.161 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -45740.581934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45740.581934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.367523 (E_RNA) where: Base-Base interactions energy: -71.117 where: short stacking energy: -34.885 Base-Backbone interact. energy: -0.001 local terms energy: -32.249016 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: 0.461 tors. eta vs tors. theta energy: -7.663 Dist. restrs. and SS energy: -45637.214 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -45752.100306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45752.100306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.452956 (E_RNA) where: Base-Base interactions energy: -68.692 where: short stacking energy: -32.054 Base-Backbone interact. energy: -0.001 local terms energy: -31.759246 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -7.521 Dist. restrs. and SS energy: -45651.647 (S_DIST_RNA) chem. 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: -45788.376954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45788.376954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.568824 (E_RNA) where: Base-Base interactions energy: -68.511 where: short stacking energy: -27.512 Base-Backbone interact. energy: -1.019 local terms energy: -33.038171 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: -45685.808 (S_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: 301 Temperature: 1.100000 Total energy: -45730.158566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45730.158566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.853184 (E_RNA) where: Base-Base interactions energy: -59.450 where: short stacking energy: -20.776 Base-Backbone interact. energy: -0.001 local terms energy: -33.401832 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: -45637.305 (S_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: 301 Temperature: 1.150000 Total energy: -45804.415366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45804.415366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.025249 (E_RNA) where: Base-Base interactions energy: -51.728 where: short stacking energy: -24.884 Base-Backbone interact. energy: -0.025 local terms energy: -25.272110 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -3.082 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: -45727.390 (S_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: 301 Temperature: 1.200000 Total energy: -45749.576449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45749.576449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.132082 (E_RNA) where: Base-Base interactions energy: -61.778 where: short stacking energy: -26.361 Base-Backbone interact. energy: -0.014 local terms energy: -31.339880 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: -45656.444 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -46444.985088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46444.985088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.050955 (E_RNA) where: Base-Base interactions energy: -60.850 where: short stacking energy: -29.707 Base-Backbone interact. energy: -0.908 local terms energy: -29.293499 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: -46353.934 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -45592.162608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45592.162608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.092514 (E_RNA) where: Base-Base interactions energy: -56.718 where: short stacking energy: -29.275 Base-Backbone interact. energy: -0.001 local terms energy: -30.373348 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -0.225 tors. eta vs tors. theta energy: -8.193 Dist. restrs. and SS energy: -45505.070 (S_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: 301 Temperature: 1.350000 Total energy: -45701.438029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45701.438029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.471328 (E_RNA) where: Base-Base interactions energy: -52.738 where: short stacking energy: -19.489 Base-Backbone interact. energy: 0.254 local terms energy: -19.986910 where: bonds (distance) C4'-P energy: -2.215 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: -45628.967 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -46048.899536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46048.899536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.368949 (E_RNA) where: Base-Base interactions energy: -68.122 where: short stacking energy: -32.416 Base-Backbone interact. energy: -0.000 local terms energy: -31.246351 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: -45949.531 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -45839.731370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45839.731370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.433201 (E_RNA) where: Base-Base interactions energy: -69.297 where: short stacking energy: -37.204 Base-Backbone interact. energy: -0.001 local terms energy: -34.135166 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -8.915 Dist. restrs. and SS energy: -45736.298 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -45916.878441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45916.878441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.380294 (E_RNA) where: Base-Base interactions energy: -68.156 where: short stacking energy: -26.244 Base-Backbone interact. energy: -0.002 local terms energy: -30.222927 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: -45818.498 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -45867.145578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45867.145578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.742921 (E_RNA) where: Base-Base interactions energy: -64.957 where: short stacking energy: -33.669 Base-Backbone interact. energy: -0.003 local terms energy: -29.783152 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -6.042 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -9.044 Dist. restrs. and SS energy: -45772.403 (S_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: 302 Temperature: 1.100000 Total energy: -45982.951443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45982.951443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.713466 (E_RNA) where: Base-Base interactions energy: -60.911 where: short stacking energy: -22.920 Base-Backbone interact. energy: -0.031 local terms energy: -29.771603 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -7.460 Dist. restrs. and SS energy: -45892.238 (S_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: 302 Temperature: 1.150000 Total energy: -45895.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45895.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.737915 (E_RNA) where: Base-Base interactions energy: -67.285 where: short stacking energy: -35.434 Base-Backbone interact. energy: -0.040 local terms energy: -32.413340 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.267 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -6.975 Dist. restrs. and SS energy: -45796.006 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -46612.095470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46612.095470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.105551 (E_RNA) where: Base-Base interactions energy: -65.854 where: short stacking energy: -22.770 Base-Backbone interact. energy: 1.541 local terms energy: -22.792705 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -5.246 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -2.119 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: -46524.990 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -45913.874672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45913.874672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.765239 (E_RNA) where: Base-Base interactions energy: -63.092 where: short stacking energy: -28.614 Base-Backbone interact. energy: -0.023 local terms energy: -23.649736 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -4.303 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: -45827.109 (S_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: 302 Temperature: 1.300000 Total energy: -45897.349411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45897.349411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.502401 (E_RNA) where: Base-Base interactions energy: -54.343 where: short stacking energy: -19.393 Base-Backbone interact. energy: -0.014 local terms energy: -25.145884 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: -45817.847 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -45935.078116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45935.078116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.975134 (E_RNA) where: Base-Base interactions energy: -43.572 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.092 local terms energy: -20.310847 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -5.005 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: -45871.103 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -46144.946646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46144.946646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.002861 (E_RNA) where: Base-Base interactions energy: -69.515 where: short stacking energy: -27.980 Base-Backbone interact. energy: -0.001 local terms energy: -30.486725 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -8.787 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -2.544 tors. eta vs tors. theta energy: -8.219 Dist. restrs. and SS energy: -46044.944 (S_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: 303 Temperature: 0.950000 Total energy: -46005.267765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46005.267765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.985776 (E_RNA) where: Base-Base interactions energy: -60.164 where: short stacking energy: -19.401 Base-Backbone interact. energy: -0.002 local terms energy: -36.820492 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: -45908.282 (S_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: 303 Temperature: 1.000000 Total energy: -45935.928249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45935.928249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.192441 (E_RNA) where: Base-Base interactions energy: -56.714 where: short stacking energy: -17.073 Base-Backbone interact. energy: -0.005 local terms energy: -25.473526 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -0.789 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: -45853.736 (S_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: 303 Temperature: 1.050000 Total energy: -46111.045162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46111.045162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.450274 (E_RNA) where: Base-Base interactions energy: -62.814 where: short stacking energy: -23.232 Base-Backbone interact. energy: -0.032 local terms energy: -27.604158 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: -46020.595 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -46002.711706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46002.711706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.775214 (E_RNA) where: Base-Base interactions energy: -63.658 where: short stacking energy: -32.413 Base-Backbone interact. energy: -0.000 local terms energy: -32.116740 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -6.827 Dist. restrs. and SS energy: -45906.936 (S_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: 303 Temperature: 1.150000 Total energy: -46740.032774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46740.032774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.651738 (E_RNA) where: Base-Base interactions energy: -62.175 where: short stacking energy: -32.229 Base-Backbone interact. energy: -0.712 local terms energy: -37.764777 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -7.621 Dist. restrs. and SS energy: -46639.381 (S_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: 303 Temperature: 1.200000 Total energy: -46041.126172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46041.126172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.656485 (E_RNA) where: Base-Base interactions energy: -59.773 where: short stacking energy: -25.563 Base-Backbone interact. energy: -0.038 local terms energy: -32.844988 where: bonds (distance) C4'-P energy: -2.385 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: -45948.470 (S_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: 303 Temperature: 1.250000 Total energy: -46083.447566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46083.447566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.372800 (E_RNA) where: Base-Base interactions energy: -59.051 where: short stacking energy: -29.268 Base-Backbone interact. energy: -0.879 local terms energy: -34.442939 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: -45989.075 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -46068.937316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46068.937316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.737286 (E_RNA) where: Base-Base interactions energy: -56.753 where: short stacking energy: -25.005 Base-Backbone interact. energy: 0.075 local terms energy: -30.059288 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -2.306 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: -45982.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -46257.367575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46257.367575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.628602 (E_RNA) where: Base-Base interactions energy: -60.102 where: short stacking energy: -27.472 Base-Backbone interact. energy: -0.005 local terms energy: -25.521136 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -2.108 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: -46171.739 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -46238.144884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46238.144884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.751568 (E_RNA) where: Base-Base interactions energy: -63.937 where: short stacking energy: -30.384 Base-Backbone interact. energy: -0.355 local terms energy: -36.458976 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -8.875 Dist. restrs. and SS energy: -46137.393 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -46106.766640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46106.766640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.473313 (E_RNA) where: Base-Base interactions energy: -64.241 where: short stacking energy: -26.848 Base-Backbone interact. energy: -0.802 local terms energy: -35.429653 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: -46006.293 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -46233.800479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46233.800479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.149699 (E_RNA) where: Base-Base interactions energy: -66.538 where: short stacking energy: -27.349 Base-Backbone interact. energy: -0.037 local terms energy: -29.574281 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: 0.054 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: -46137.651 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -46032.505239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46032.505239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.267882 (E_RNA) where: Base-Base interactions energy: -69.146 where: short stacking energy: -22.088 Base-Backbone interact. energy: -0.074 local terms energy: -21.047239 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: 1.837 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: -45942.237 (S_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: 304 Temperature: 1.100000 Total energy: -46868.661769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46868.661769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.570544 (E_RNA) where: Base-Base interactions energy: -62.018 where: short stacking energy: -24.518 Base-Backbone interact. energy: -0.242 local terms energy: -27.310627 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -7.110 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: -46779.091 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -46149.521432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46149.521432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.107938 (E_RNA) where: Base-Base interactions energy: -52.711 where: short stacking energy: -16.265 Base-Backbone interact. energy: -0.010 local terms energy: -27.386861 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: -46069.413 (S_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: 304 Temperature: 1.200000 Total energy: -46205.558990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46205.558990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.294864 (E_RNA) where: Base-Base interactions energy: -65.162 where: short stacking energy: -35.457 Base-Backbone interact. energy: -0.055 local terms energy: -32.078792 where: bonds (distance) C4'-P energy: -3.722 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -8.105 Dist. restrs. and SS energy: -46108.264 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -46202.182552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46202.182552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.252662 (E_RNA) where: Base-Base interactions energy: -62.907 where: short stacking energy: -27.324 Base-Backbone interact. energy: -0.078 local terms energy: -30.267221 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: -46108.930 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -46398.529902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46398.529902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.343492 (E_RNA) where: Base-Base interactions energy: -54.446 where: short stacking energy: -30.564 Base-Backbone interact. energy: -1.018 local terms energy: -34.879584 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -5.735 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -8.392 Dist. restrs. and SS energy: -46308.186 (S_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: 304 Temperature: 1.350000 Total energy: -46257.877238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46257.877238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.266145 (E_RNA) where: Base-Base interactions energy: -54.731 where: short stacking energy: -22.644 Base-Backbone interact. energy: -0.002 local terms energy: -32.533043 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -7.509 Dist. restrs. and SS energy: -46170.611 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -46328.607084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46328.607084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.642609 (E_RNA) where: Base-Base interactions energy: -62.671 where: short stacking energy: -28.223 Base-Backbone interact. energy: -0.041 local terms energy: -34.929622 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: -46230.964 (S_DIST_RNA) chem. 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: -46346.086964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46346.086964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.502325 (E_RNA) where: Base-Base interactions energy: -75.213 where: short stacking energy: -21.692 Base-Backbone interact. energy: -0.026 local terms energy: -28.262730 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -4.393 Dist. restrs. and SS energy: -46242.585 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -46211.973389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46211.973389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.822074 (E_RNA) where: Base-Base interactions energy: -69.673 where: short stacking energy: -36.859 Base-Backbone interact. energy: -0.000 local terms energy: -34.148872 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -2.345 tors. eta vs tors. theta energy: -9.227 Dist. restrs. and SS energy: -46108.151 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -46986.897552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46986.897552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.258542 (E_RNA) where: Base-Base interactions energy: -64.134 where: short stacking energy: -30.204 Base-Backbone interact. energy: -0.130 local terms energy: -29.994201 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -2.855 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -7.304 Dist. restrs. and SS energy: -46892.639 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -46174.432383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46174.432383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.682793 (E_RNA) where: Base-Base interactions energy: -63.227 where: short stacking energy: -30.881 Base-Backbone interact. energy: -0.001 local terms energy: -33.455064 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -1.374 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: -46077.750 (S_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: 305 Temperature: 1.150000 Total energy: -46343.915888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46343.915888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.043417 (E_RNA) where: Base-Base interactions energy: -61.572 where: short stacking energy: -31.039 Base-Backbone interact. energy: -1.219 local terms energy: -35.252472 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: -46245.872 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -46394.767403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46394.767403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.101527 (E_RNA) where: Base-Base interactions energy: -60.172 where: short stacking energy: -18.895 Base-Backbone interact. energy: -0.016 local terms energy: -23.913621 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: -46310.666 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -46569.221906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46569.221906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.889232 (E_RNA) where: Base-Base interactions energy: -53.192 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.001 local terms energy: -27.696586 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -5.626 Dist. restrs. and SS energy: -46488.333 (S_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: 305 Temperature: 1.300000 Total energy: -46401.832380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46401.832380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.422898 (E_RNA) where: Base-Base interactions energy: -63.672 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.002 local terms energy: -29.749523 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -2.399 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: -46308.409 (S_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: 305 Temperature: 1.350000 Total energy: -46446.886059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46446.886059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.051488 (E_RNA) where: Base-Base interactions energy: -68.713 where: short stacking energy: -34.578 Base-Backbone interact. energy: -0.002 local terms energy: -29.336925 where: bonds (distance) C4'-P energy: -0.553 bonds (distance) P-C4' energy: -8.314 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -10.031 Dist. restrs. and SS energy: -46348.835 (S_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: 306 Temperature: 0.900000 Total energy: -46426.096066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46426.096066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.019578 (E_RNA) where: Base-Base interactions energy: -67.736 where: short stacking energy: -32.318 Base-Backbone interact. energy: -0.000 local terms energy: -30.283645 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -7.305 Dist. restrs. and SS energy: -46328.076 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -46404.184757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46404.184757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.255798 (E_RNA) where: Base-Base interactions energy: -69.559 where: short stacking energy: -28.464 Base-Backbone interact. energy: -0.002 local terms energy: -28.693949 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.865 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: -46305.929 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -47091.920985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47091.920985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.253138 (E_RNA) where: Base-Base interactions energy: -71.580 where: short stacking energy: -26.210 Base-Backbone interact. energy: -0.000 local terms energy: -28.672741 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -4.462 Dist. restrs. and SS energy: -46991.668 (S_DIST_RNA) chem. 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: -46337.596182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46337.596182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.046368 (E_RNA) where: Base-Base interactions energy: -62.974 where: short stacking energy: -32.849 Base-Backbone interact. energy: -0.001 local terms energy: -28.071459 where: bonds (distance) C4'-P energy: -4.720 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -0.210 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: -46246.550 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -46499.925847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46499.925847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.986127 (E_RNA) where: Base-Base interactions energy: -67.066 where: short stacking energy: -27.597 Base-Backbone interact. energy: -0.001 local terms energy: -31.918465 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: -46400.940 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -46308.185028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46308.185028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.985670 (E_RNA) where: Base-Base interactions energy: -60.527 where: short stacking energy: -26.030 Base-Backbone interact. energy: -0.611 local terms energy: -29.848020 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -6.800 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: -46217.199 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -46718.850164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46718.850164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.559388 (E_RNA) where: Base-Base interactions energy: -61.984 where: short stacking energy: -26.030 Base-Backbone interact. energy: -0.000 local terms energy: -29.575717 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: -46627.291 (S_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: 306 Temperature: 1.250000 Total energy: -46578.791309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46578.791309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.557564 (E_RNA) where: Base-Base interactions energy: -63.854 where: short stacking energy: -30.761 Base-Backbone interact. energy: -0.002 local terms energy: -33.702404 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: -46481.234 (S_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: 306 Temperature: 1.300000 Total energy: -46611.707839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46611.707839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.391146 (E_RNA) where: Base-Base interactions energy: -63.926 where: short stacking energy: -18.644 Base-Backbone interact. energy: -0.125 local terms energy: -20.339809 where: bonds (distance) C4'-P energy: -2.346 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -1.507 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: -46527.317 (S_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: 306 Temperature: 1.350000 Total energy: -46557.552168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46557.552168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.107997 (E_RNA) where: Base-Base interactions energy: -59.863 where: short stacking energy: -21.997 Base-Backbone interact. energy: -0.325 local terms energy: -27.919578 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: -46469.444 (S_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: 307 Temperature: 0.900000 Total energy: -46548.697649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46548.697649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.352821 (E_RNA) where: Base-Base interactions energy: -73.200 where: short stacking energy: -35.696 Base-Backbone interact. energy: -0.128 local terms energy: -33.024504 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -8.543 Dist. restrs. and SS energy: -46442.345 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -47186.389713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47186.389713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.751315 (E_RNA) where: Base-Base interactions energy: -67.140 where: short stacking energy: -31.159 Base-Backbone interact. energy: -1.040 local terms energy: -30.571338 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.536 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: -47087.638 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -46505.591333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46505.591333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.631854 (E_RNA) where: Base-Base interactions energy: -66.594 where: short stacking energy: -32.959 Base-Backbone interact. energy: -0.026 local terms energy: -33.011607 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: -46405.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -46613.149401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46613.149401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.083035 (E_RNA) where: Base-Base interactions energy: -68.605 where: short stacking energy: -26.536 Base-Backbone interact. energy: -0.406 local terms energy: -34.071907 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: -46510.066 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -46487.887509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46487.887509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.908121 (E_RNA) where: Base-Base interactions energy: -66.540 where: short stacking energy: -25.752 Base-Backbone interact. energy: -0.001 local terms energy: -29.367526 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: -46391.979 (S_DIST_RNA) chem. 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: -46878.884226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46878.884226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.231414 (E_RNA) where: Base-Base interactions energy: -67.693 where: short stacking energy: -35.247 Base-Backbone interact. energy: -0.000 local terms energy: -32.537630 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: -46778.653 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -46468.768288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46468.768288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.687726 (E_RNA) where: Base-Base interactions energy: -63.671 where: short stacking energy: -28.268 Base-Backbone interact. energy: -0.003 local terms energy: -28.013809 where: bonds (distance) C4'-P energy: -1.920 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: -46377.081 (S_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: 307 Temperature: 1.250000 Total energy: -46771.094963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46771.094963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.836977 (E_RNA) where: Base-Base interactions energy: -60.538 where: short stacking energy: -32.684 Base-Backbone interact. energy: -0.268 local terms energy: -32.030757 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: -46678.258 (S_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: -46728.096796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46728.096796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.617895 (E_RNA) where: Base-Base interactions energy: -59.847 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.003 local terms energy: -28.767757 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: -46639.479 (S_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: 307 Temperature: 1.350000 Total energy: -46736.271630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46736.271630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.086546 (E_RNA) where: Base-Base interactions energy: -56.684 where: short stacking energy: -28.825 Base-Backbone interact. energy: -0.151 local terms energy: -29.251257 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -5.903 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: -46650.185 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -47303.121448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47303.121448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.231488 (E_RNA) where: Base-Base interactions energy: -64.235 where: short stacking energy: -32.833 Base-Backbone interact. energy: -0.001 local terms energy: -32.995461 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -7.345 Dist. restrs. and SS energy: -47205.890 (S_DIST_RNA) chem. 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: -46649.418979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46649.418979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.396960 (E_RNA) where: Base-Base interactions energy: -67.299 where: short stacking energy: -32.911 Base-Backbone interact. energy: -0.000 local terms energy: -34.097992 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -9.508 Dist. restrs. and SS energy: -46548.022 (S_DIST_RNA) chem. 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: -46730.362125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46730.362125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.735034 (E_RNA) where: Base-Base interactions energy: -62.971 where: short stacking energy: -25.467 Base-Backbone interact. energy: -0.851 local terms energy: -35.912432 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: -46630.627 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -46635.404144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46635.404144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.679483 (E_RNA) where: Base-Base interactions energy: -60.973 where: short stacking energy: -33.024 Base-Backbone interact. energy: -0.001 local terms energy: -32.705064 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: -46541.725 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -46996.004659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46996.004659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.726056 (E_RNA) where: Base-Base interactions energy: -61.559 where: short stacking energy: -23.383 Base-Backbone interact. energy: -0.686 local terms energy: -27.481665 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: -46906.279 (S_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: 308 Temperature: 1.150000 Total energy: -46615.370679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46615.370679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.861124 (E_RNA) where: Base-Base interactions energy: -65.745 where: short stacking energy: -26.863 Base-Backbone interact. energy: -0.002 local terms energy: -27.113741 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: -46522.510 (S_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: 308 Temperature: 1.200000 Total energy: -46909.230499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46909.230499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.555576 (E_RNA) where: Base-Base interactions energy: -66.470 where: short stacking energy: -33.402 Base-Backbone interact. energy: -0.001 local terms energy: -26.085203 where: bonds (distance) C4'-P energy: -2.590 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -7.192 Dist. restrs. and SS energy: -46816.675 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -46623.371941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46623.371941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.871622 (E_RNA) where: Base-Base interactions energy: -58.722 where: short stacking energy: -27.768 Base-Backbone interact. energy: -0.000 local terms energy: -26.149095 where: bonds (distance) C4'-P energy: -3.141 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: -46538.500 (S_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: 308 Temperature: 1.300000 Total energy: -46896.963698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46896.963698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.112016 (E_RNA) where: Base-Base interactions energy: -57.477 where: short stacking energy: -16.258 Base-Backbone interact. energy: -0.004 local terms energy: -30.630838 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -5.692 Dist. restrs. and SS energy: -46808.852 (S_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: 308 Temperature: 1.350000 Total energy: -46926.254943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46926.254943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.072682 (E_RNA) where: Base-Base interactions energy: -58.262 where: short stacking energy: -25.584 Base-Backbone interact. energy: -0.013 local terms energy: -27.796902 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -6.210 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: -46840.182 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -47390.711334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47390.711334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.418379 (E_RNA) where: Base-Base interactions energy: -66.718 where: short stacking energy: -27.865 Base-Backbone interact. energy: -0.003 local terms energy: -32.696568 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -7.529 Dist. restrs. and SS energy: -47291.293 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -46859.446085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46859.446085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.531115 (E_RNA) where: Base-Base interactions energy: -74.177 where: short stacking energy: -36.712 Base-Backbone interact. energy: -0.000 local terms energy: -33.354339 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: -46751.915 (S_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: 309 Temperature: 1.000000 Total energy: -46754.859708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46754.859708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.438761 (E_RNA) where: Base-Base interactions energy: -60.194 where: short stacking energy: -31.657 Base-Backbone interact. energy: -1.793 local terms energy: -27.451629 where: bonds (distance) C4'-P energy: -7.476 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -1.835 tors. eta vs tors. theta energy: -5.331 Dist. restrs. and SS energy: -46665.421 (S_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: 309 Temperature: 1.050000 Total energy: -47101.978702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47101.978702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.768678 (E_RNA) where: Base-Base interactions energy: -60.716 where: short stacking energy: -23.933 Base-Backbone interact. energy: -0.426 local terms energy: -24.626527 where: bonds (distance) C4'-P energy: -2.323 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: -47016.210 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -46782.405305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46782.405305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.730475 (E_RNA) where: Base-Base interactions energy: -58.421 where: short stacking energy: -27.290 Base-Backbone interact. energy: -0.005 local terms energy: -20.304250 where: bonds (distance) C4'-P energy: -5.300 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: -46703.675 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -47029.959692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47029.959692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.732406 (E_RNA) where: Base-Base interactions energy: -64.878 where: short stacking energy: -32.473 Base-Backbone interact. energy: -0.006 local terms energy: -25.848789 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -1.744 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: -46939.227 (S_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: 309 Temperature: 1.200000 Total energy: -46736.576820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46736.576820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.969480 (E_RNA) where: Base-Base interactions energy: -62.647 where: short stacking energy: -26.999 Base-Backbone interact. energy: -0.003 local terms energy: -32.319715 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: -46641.607 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -47067.121348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47067.121348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.051556 (E_RNA) where: Base-Base interactions energy: -64.376 where: short stacking energy: -28.883 Base-Backbone interact. energy: -0.003 local terms energy: -27.673155 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -3.028 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: -46975.070 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -46803.996506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46803.996506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.178037 (E_RNA) where: Base-Base interactions energy: -59.503 where: short stacking energy: -31.056 Base-Backbone interact. energy: 0.926 local terms energy: -36.601171 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: -46708.818 (S_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: 309 Temperature: 1.350000 Total energy: -47116.359484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47116.359484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.055582 (E_RNA) where: Base-Base interactions energy: -63.186 where: short stacking energy: -24.851 Base-Backbone interact. energy: -0.003 local terms energy: -22.866753 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -4.626 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -1.886 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: -47030.304 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -47516.349131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47516.349131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.739272 (E_RNA) where: Base-Base interactions energy: -65.812 where: short stacking energy: -31.187 Base-Backbone interact. energy: -0.449 local terms energy: -38.478307 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: -47411.610 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -46965.646848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46965.646848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.262940 (E_RNA) where: Base-Base interactions energy: -63.638 where: short stacking energy: -31.438 Base-Backbone interact. energy: -0.001 local terms energy: -30.623617 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -7.947 Dist. restrs. and SS energy: -46871.384 (S_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: 310 Temperature: 1.000000 Total energy: -47211.535725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47211.535725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.740949 (E_RNA) where: Base-Base interactions energy: -65.434 where: short stacking energy: -28.347 Base-Backbone interact. energy: -0.043 local terms energy: -30.264624 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -6.324 Dist. restrs. and SS energy: -47115.795 (S_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: 310 Temperature: 1.050000 Total energy: -46922.746691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46922.746691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.210984 (E_RNA) where: Base-Base interactions energy: -66.970 where: short stacking energy: -34.555 Base-Backbone interact. energy: -0.000 local terms energy: -33.240257 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -7.475 Dist. restrs. and SS energy: -46822.536 (S_DIST_RNA) chem. 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: -47232.258433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47232.258433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.453876 (E_RNA) where: Base-Base interactions energy: -68.733 where: short stacking energy: -21.105 Base-Backbone interact. energy: -0.002 local terms energy: -28.719064 where: bonds (distance) C4'-P energy: -6.027 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: -47134.805 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -46903.218139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46903.218139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.718853 (E_RNA) where: Base-Base interactions energy: -64.040 where: short stacking energy: -26.344 Base-Backbone interact. energy: -0.000 local terms energy: -28.678288 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: -46810.499 (S_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: 310 Temperature: 1.200000 Total energy: -47191.119503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47191.119503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.791191 (E_RNA) where: Base-Base interactions energy: -63.424 where: short stacking energy: -25.917 Base-Backbone interact. energy: -0.002 local terms energy: -28.365432 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -3.465 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: -47099.328 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -46838.432480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46838.432480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.170476 (E_RNA) where: Base-Base interactions energy: -61.520 where: short stacking energy: -21.228 Base-Backbone interact. energy: -0.011 local terms energy: -22.639257 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -0.168 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: -46754.262 (S_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: 310 Temperature: 1.300000 Total energy: -47279.356809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47279.356809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.144188 (E_RNA) where: Base-Base interactions energy: -50.402 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.003 local terms energy: -30.739590 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -1.115 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: -47198.213 (S_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: 310 Temperature: 1.350000 Total energy: -47012.031763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47012.031763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.918346 (E_RNA) where: Base-Base interactions energy: -49.373 where: short stacking energy: -24.536 Base-Backbone interact. energy: -0.974 local terms energy: -20.571214 where: bonds (distance) C4'-P energy: -2.239 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: -46941.113 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -47619.103595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47619.103595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.489522 (E_RNA) where: Base-Base interactions energy: -68.080 where: short stacking energy: -32.507 Base-Backbone interact. energy: -1.054 local terms energy: -35.355870 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -1.353 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: -47514.614 (S_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: 311 Temperature: 0.950000 Total energy: -47325.673472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47325.673472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.473327 (E_RNA) where: Base-Base interactions energy: -64.988 where: short stacking energy: -32.553 Base-Backbone interact. energy: -1.289 local terms energy: -39.196905 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -9.351 Dist. restrs. and SS energy: -47220.200 (S_DIST_RNA) chem. 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: -47070.288612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47070.288612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.438111 (E_RNA) where: Base-Base interactions energy: -61.183 where: short stacking energy: -27.617 Base-Backbone interact. energy: -0.000 local terms energy: -31.254270 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.155 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -8.793 Dist. restrs. and SS energy: -46977.851 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -47329.898492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47329.898492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.539921 (E_RNA) where: Base-Base interactions energy: -65.675 where: short stacking energy: -29.839 Base-Backbone interact. energy: -0.000 local terms energy: -27.864793 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -0.834 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: -47236.359 (S_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: 311 Temperature: 1.100000 Total energy: -47034.821331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47034.821331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.946345 (E_RNA) where: Base-Base interactions energy: -58.173 where: short stacking energy: -22.162 Base-Backbone interact. energy: -0.719 local terms energy: -32.054094 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: -46943.875 (S_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: 311 Temperature: 1.150000 Total energy: -47327.112471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47327.112471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.140371 (E_RNA) where: Base-Base interactions energy: -59.603 where: short stacking energy: -25.766 Base-Backbone interact. energy: -0.078 local terms energy: -28.459197 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: -47238.972 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -47055.234934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47055.234934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.980720 (E_RNA) where: Base-Base interactions energy: -63.156 where: short stacking energy: -16.250 Base-Backbone interact. energy: -0.003 local terms energy: -26.821380 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -4.559 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: -46965.254 (S_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: 311 Temperature: 1.250000 Total energy: -47463.326571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47463.326571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.707606 (E_RNA) where: Base-Base interactions energy: -63.456 where: short stacking energy: -29.765 Base-Backbone interact. energy: -1.080 local terms energy: -26.171545 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -1.897 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: -47372.619 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -47024.019629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47024.019629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.194480 (E_RNA) where: Base-Base interactions energy: -64.558 where: short stacking energy: -27.795 Base-Backbone interact. energy: -0.380 local terms energy: -33.256666 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: -46925.825 (S_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: 311 Temperature: 1.350000 Total energy: -47229.895142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47229.895142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.135035 (E_RNA) where: Base-Base interactions energy: -55.004 where: short stacking energy: -22.946 Base-Backbone interact. energy: -0.000 local terms energy: -22.130859 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -0.772 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: -47152.760 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -47709.725976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47709.725976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.898909 (E_RNA) where: Base-Base interactions energy: -72.893 where: short stacking energy: -27.909 Base-Backbone interact. energy: -0.902 local terms energy: -32.104761 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: -47603.827 (S_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: 312 Temperature: 0.950000 Total energy: -47439.831494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47439.831494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.961844 (E_RNA) where: Base-Base interactions energy: -68.237 where: short stacking energy: -33.697 Base-Backbone interact. energy: -1.677 local terms energy: -32.047549 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -7.576 Dist. restrs. and SS energy: -47337.870 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -47446.758009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47446.758009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.380766 (E_RNA) where: Base-Base interactions energy: -64.392 where: short stacking energy: -29.326 Base-Backbone interact. energy: -0.001 local terms energy: -26.987543 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -3.314 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: -47355.377 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -47192.266313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47192.266313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.529441 (E_RNA) where: Base-Base interactions energy: -71.517 where: short stacking energy: -35.835 Base-Backbone interact. energy: -0.041 local terms energy: -32.971312 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: -47087.737 (S_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: 312 Temperature: 1.100000 Total energy: -47469.813375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47469.813375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.865900 (E_RNA) where: Base-Base interactions energy: -61.489 where: short stacking energy: -23.849 Base-Backbone interact. energy: -0.001 local terms energy: -31.375889 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: -47376.947 (S_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: 312 Temperature: 1.150000 Total energy: -47188.296411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47188.296411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.017637 (E_RNA) where: Base-Base interactions energy: -64.075 where: short stacking energy: -33.582 Base-Backbone interact. energy: -0.001 local terms energy: -30.941512 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -9.255 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -7.508 Dist. restrs. and SS energy: -47093.279 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -47602.160844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47602.160844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.564595 (E_RNA) where: Base-Base interactions energy: -58.791 where: short stacking energy: -19.192 Base-Backbone interact. energy: -0.020 local terms energy: -29.754346 where: bonds (distance) C4'-P energy: -3.997 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -4.684 Dist. restrs. and SS energy: -47513.596 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -47218.203456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47218.203456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.299979 (E_RNA) where: Base-Base interactions energy: -56.982 where: short stacking energy: -28.458 Base-Backbone interact. energy: -0.001 local terms energy: -28.317370 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: 2.781 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: -47132.903 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -47498.395250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47498.395250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.383053 (E_RNA) where: Base-Base interactions energy: -60.358 where: short stacking energy: -32.126 Base-Backbone interact. energy: -0.000 local terms energy: -34.024397 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -7.229 Dist. restrs. and SS energy: -47404.012 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -47163.876417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47163.876417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.086010 (E_RNA) where: Base-Base interactions energy: -49.183 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.005 local terms energy: -28.898332 where: bonds (distance) C4'-P energy: -5.446 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: -47085.790 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -47784.765096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47784.765096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.913000 (E_RNA) where: Base-Base interactions energy: -71.647 where: short stacking energy: -26.807 Base-Backbone interact. energy: -0.000 local terms energy: -33.265085 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: -47679.852 (S_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: 313 Temperature: 0.950000 Total energy: -47563.927680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47563.927680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.107675 (E_RNA) where: Base-Base interactions energy: -55.848 where: short stacking energy: -22.323 Base-Backbone interact. energy: -0.007 local terms energy: -28.253258 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -5.869 Dist. restrs. and SS energy: -47479.820 (S_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: 313 Temperature: 1.000000 Total energy: -47548.279428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47548.279428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.059933 (E_RNA) where: Base-Base interactions energy: -64.741 where: short stacking energy: -33.603 Base-Backbone interact. energy: -1.503 local terms energy: -35.815347 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -7.840 Dist. restrs. and SS energy: -47446.219 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -47581.520691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47581.520691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.355316 (E_RNA) where: Base-Base interactions energy: -63.680 where: short stacking energy: -25.728 Base-Backbone interact. energy: -0.001 local terms energy: -31.673937 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: -47486.165 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -47293.786904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47293.786904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.691339 (E_RNA) where: Base-Base interactions energy: -63.806 where: short stacking energy: -29.740 Base-Backbone interact. energy: -0.002 local terms energy: -30.882672 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: -47199.096 (S_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: 313 Temperature: 1.150000 Total energy: -47750.404398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47750.404398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.563668 (E_RNA) where: Base-Base interactions energy: -65.205 where: short stacking energy: -29.298 Base-Backbone interact. energy: -0.004 local terms energy: -28.354119 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -1.007 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: -47656.841 (S_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: 313 Temperature: 1.200000 Total energy: -47311.214201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47311.214201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.585112 (E_RNA) where: Base-Base interactions energy: -59.946 where: short stacking energy: -24.139 Base-Backbone interact. energy: -0.039 local terms energy: -21.599843 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: -47229.629 (S_DIST_RNA) chem. 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: -47634.869019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47634.869019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.305622 (E_RNA) where: Base-Base interactions energy: -56.725 where: short stacking energy: -24.830 Base-Backbone interact. energy: -1.056 local terms energy: -29.524977 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: -47547.563 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -47372.041317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47372.041317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.671311 (E_RNA) where: Base-Base interactions energy: -58.532 where: short stacking energy: -24.092 Base-Backbone interact. energy: -0.073 local terms energy: -27.066825 where: bonds (distance) C4'-P energy: -3.221 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: -47286.370 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -47369.252375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47369.252375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.114123 (E_RNA) where: Base-Base interactions energy: -56.223 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.163 local terms energy: -25.728744 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: -47287.138 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -47867.171226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47867.171226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.713402 (E_RNA) where: Base-Base interactions energy: -66.354 where: short stacking energy: -30.144 Base-Backbone interact. energy: -0.002 local terms energy: -34.357573 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: -47766.458 (S_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: 314 Temperature: 0.950000 Total energy: -47712.204121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47712.204121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.738779 (E_RNA) where: Base-Base interactions energy: -60.079 where: short stacking energy: -24.816 Base-Backbone interact. energy: -0.001 local terms energy: -36.658506 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -6.092 Dist. restrs. and SS energy: -47615.465 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -47701.352568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47701.352568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.501239 (E_RNA) where: Base-Base interactions energy: -68.700 where: short stacking energy: -26.116 Base-Backbone interact. energy: -0.003 local terms energy: -30.797965 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: -47601.851 (S_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: 314 Temperature: 1.050000 Total energy: -47672.408917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47672.408917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.929472 (E_RNA) where: Base-Base interactions energy: -61.304 where: short stacking energy: -30.247 Base-Backbone interact. energy: -0.057 local terms energy: -35.568835 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: -47575.479 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -47871.774593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47871.774593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.528950 (E_RNA) where: Base-Base interactions energy: -62.756 where: short stacking energy: -34.387 Base-Backbone interact. energy: -0.000 local terms energy: -29.772473 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -1.245 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: -47779.246 (S_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: 314 Temperature: 1.150000 Total energy: -47416.350642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47416.350642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.653911 (E_RNA) where: Base-Base interactions energy: -68.598 where: short stacking energy: -36.196 Base-Backbone interact. energy: -0.000 local terms energy: -25.055783 where: bonds (distance) C4'-P energy: -3.373 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: 0.839 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: -47322.697 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -47792.471725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47792.471725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.235067 (E_RNA) where: Base-Base interactions energy: -68.128 where: short stacking energy: -26.611 Base-Backbone interact. energy: -0.331 local terms energy: -21.776162 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: -47702.237 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -47485.615167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47485.615167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.248735 (E_RNA) where: Base-Base interactions energy: -61.368 where: short stacking energy: -30.620 Base-Backbone interact. energy: -1.791 local terms energy: -28.089344 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: -47394.366 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -47553.462194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47553.462194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.110199 (E_RNA) where: Base-Base interactions energy: -53.901 where: short stacking energy: -21.075 Base-Backbone interact. energy: -0.032 local terms energy: -26.177024 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: -47473.352 (S_DIST_RNA) chem. 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: -47536.605631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47536.605631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.343435 (E_RNA) where: Base-Base interactions energy: -59.896 where: short stacking energy: -26.012 Base-Backbone interact. energy: -0.867 local terms energy: -32.580489 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: -47443.262 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -47943.026461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47943.026461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.132048 (E_RNA) where: Base-Base interactions energy: -70.490 where: short stacking energy: -28.023 Base-Backbone interact. energy: -0.008 local terms energy: -31.634239 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: -47840.894 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -47800.889002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47800.889002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.451784 (E_RNA) where: Base-Base interactions energy: -71.946 where: short stacking energy: -25.608 Base-Backbone interact. energy: -0.006 local terms energy: -31.500001 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: -47697.437 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -47824.870458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47824.870458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.754168 (E_RNA) where: Base-Base interactions energy: -69.057 where: short stacking energy: -25.489 Base-Backbone interact. energy: -0.015 local terms energy: -23.681803 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -7.821 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -2.029 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: -47732.116 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -47991.222621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47991.222621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.341455 (E_RNA) where: Base-Base interactions energy: -67.569 where: short stacking energy: -35.199 Base-Backbone interact. energy: -0.000 local terms energy: -27.771844 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -1.574 tors. eta vs tors. theta energy: -8.586 Dist. restrs. and SS energy: -47895.881 (S_DIST_RNA) chem. 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: -47796.669894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47796.669894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.107043 (E_RNA) where: Base-Base interactions energy: -64.506 where: short stacking energy: -26.320 Base-Backbone interact. energy: -0.002 local terms energy: -30.598638 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: 0.436 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: -47701.563 (S_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: 315 Temperature: 1.150000 Total energy: -47914.194842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47914.194842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.911758 (E_RNA) where: Base-Base interactions energy: -61.512 where: short stacking energy: -32.843 Base-Backbone interact. energy: -0.399 local terms energy: -34.000122 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: -47818.283 (S_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: 315 Temperature: 1.200000 Total energy: -47561.635001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47561.635001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.315495 (E_RNA) where: Base-Base interactions energy: -62.600 where: short stacking energy: -31.511 Base-Backbone interact. energy: -0.211 local terms energy: -24.505022 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -0.010 tors. eta vs tors. theta energy: -8.908 Dist. restrs. and SS energy: -47474.320 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -47712.915607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47712.915607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.745259 (E_RNA) where: Base-Base interactions energy: -60.803 where: short stacking energy: -33.083 Base-Backbone interact. energy: -0.004 local terms energy: -26.938366 where: bonds (distance) C4'-P energy: -3.035 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: -47625.170 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -47666.335856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47666.335856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.390831 (E_RNA) where: Base-Base interactions energy: -54.440 where: short stacking energy: -19.345 Base-Backbone interact. energy: -0.029 local terms energy: -30.921365 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: -47580.945 (S_DIST_RNA) chem. 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: -47691.653689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47691.653689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.644008 (E_RNA) where: Base-Base interactions energy: -63.021 where: short stacking energy: -20.621 Base-Backbone interact. energy: -0.001 local terms energy: -24.621905 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.168 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: -47604.010 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -48023.956465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48023.956465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.897749 (E_RNA) where: Base-Base interactions energy: -60.699 where: short stacking energy: -24.775 Base-Backbone interact. energy: 0.215 local terms energy: -32.413549 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: -47931.059 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -47889.678922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47889.678922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.813453 (E_RNA) where: Base-Base interactions energy: -68.582 where: short stacking energy: -25.933 Base-Backbone interact. energy: -0.001 local terms energy: -30.230074 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -1.775 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: -47790.865 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -48121.550320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48121.550320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.846737 (E_RNA) where: Base-Base interactions energy: -63.151 where: short stacking energy: -24.936 Base-Backbone interact. energy: -0.338 local terms energy: -27.357932 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: -48030.704 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -47958.253667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47958.253667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.173552 (E_RNA) where: Base-Base interactions energy: -64.152 where: short stacking energy: -31.619 Base-Backbone interact. energy: -0.000 local terms energy: -34.021257 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: -47860.080 (S_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: 316 Temperature: 1.100000 Total energy: -48043.410950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48043.410950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.290286 (E_RNA) where: Base-Base interactions energy: -65.362 where: short stacking energy: -33.022 Base-Backbone interact. energy: -0.003 local terms energy: -29.925617 where: bonds (distance) C4'-P energy: -3.838 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -1.605 tors. eta vs tors. theta energy: -9.466 Dist. restrs. and SS energy: -47948.121 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -47906.861161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47906.861161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.715848 (E_RNA) where: Base-Base interactions energy: -60.272 where: short stacking energy: -26.309 Base-Backbone interact. energy: -0.052 local terms energy: -29.392312 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: -47817.145 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -47859.444812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47859.444812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.598453 (E_RNA) where: Base-Base interactions energy: -66.217 where: short stacking energy: -32.754 Base-Backbone interact. energy: -0.908 local terms energy: -32.473185 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -8.855 Dist. restrs. and SS energy: -47759.846 (S_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: 316 Temperature: 1.250000 Total energy: -47723.635400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47723.635400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.436540 (E_RNA) where: Base-Base interactions energy: -59.255 where: short stacking energy: -30.990 Base-Backbone interact. energy: -0.000 local terms energy: -33.181115 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: -47631.199 (S_DIST_RNA) chem. 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: -47872.683473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47872.683473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.235153 (E_RNA) where: Base-Base interactions energy: -67.812 where: short stacking energy: -34.387 Base-Backbone interact. energy: -0.004 local terms energy: -32.419329 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -8.899 Dist. restrs. and SS energy: -47772.448 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -47895.076827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47895.076827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.913553 (E_RNA) where: Base-Base interactions energy: -58.894 where: short stacking energy: -31.111 Base-Backbone interact. energy: -0.001 local terms energy: -30.019186 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: -47806.163 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -48127.510581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48127.510581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.899840 (E_RNA) where: Base-Base interactions energy: -68.104 where: short stacking energy: -28.783 Base-Backbone interact. energy: -0.004 local terms energy: -30.791703 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: -48028.611 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -48250.547867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48250.547867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.657756 (E_RNA) where: Base-Base interactions energy: -66.125 where: short stacking energy: -23.653 Base-Backbone interact. energy: -1.027 local terms energy: -31.505036 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: -48151.890 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -48019.444153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48019.444153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.850423 (E_RNA) where: Base-Base interactions energy: -71.716 where: short stacking energy: -36.115 Base-Backbone interact. energy: -0.000 local terms energy: -36.133807 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.680 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -9.880 Dist. restrs. and SS energy: -47911.594 (S_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: 317 Temperature: 1.050000 Total energy: -48154.870906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48154.870906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.420737 (E_RNA) where: Base-Base interactions energy: -69.104 where: short stacking energy: -35.222 Base-Backbone interact. energy: -0.816 local terms energy: -33.500664 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: -48051.450 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -48054.205263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48054.205263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.982312 (E_RNA) where: Base-Base interactions energy: -66.134 where: short stacking energy: -31.060 Base-Backbone interact. energy: -0.047 local terms energy: -23.801388 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -5.789 Dist. restrs. and SS energy: -47964.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -48050.100683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48050.100683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.973971 (E_RNA) where: Base-Base interactions energy: -61.139 where: short stacking energy: -28.453 Base-Backbone interact. energy: -1.296 local terms energy: -30.538724 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.749 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -8.948 Dist. restrs. and SS energy: -47957.127 (S_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: 317 Temperature: 1.200000 Total energy: -48016.341719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48016.341719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.859590 (E_RNA) where: Base-Base interactions energy: -65.630 where: short stacking energy: -22.642 Base-Backbone interact. energy: -0.005 local terms energy: -27.224661 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.704 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: -47923.482 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -48055.888911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48055.888911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.081725 (E_RNA) where: Base-Base interactions energy: -73.182 where: short stacking energy: -28.928 Base-Backbone interact. energy: -0.003 local terms energy: -17.896574 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -2.339 flat angles C4'-P-C4' energy: -1.790 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: -47964.807 (S_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: 317 Temperature: 1.300000 Total energy: -47884.118898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47884.118898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.433624 (E_RNA) where: Base-Base interactions energy: -68.217 where: short stacking energy: -28.620 Base-Backbone interact. energy: -0.000 local terms energy: -27.216553 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: -47788.685 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -48034.029406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48034.029406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.284794 (E_RNA) where: Base-Base interactions energy: -59.183 where: short stacking energy: -25.992 Base-Backbone interact. energy: -0.007 local terms energy: -28.094944 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: -47946.745 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -48332.886502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48332.886502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.305430 (E_RNA) where: Base-Base interactions energy: -66.925 where: short stacking energy: -26.629 Base-Backbone interact. energy: -0.007 local terms energy: -36.373869 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: -48229.581 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -48226.143098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48226.143098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.077776 (E_RNA) where: Base-Base interactions energy: -63.878 where: short stacking energy: -31.599 Base-Backbone interact. energy: -0.001 local terms energy: -34.198783 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: -48128.065 (S_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: 318 Temperature: 1.000000 Total energy: -48266.932327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48266.932327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.659068 (E_RNA) where: Base-Base interactions energy: -63.736 where: short stacking energy: -27.158 Base-Backbone interact. energy: -0.012 local terms energy: -31.910718 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -5.561 Dist. restrs. and SS energy: -48171.273 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -48146.936236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48146.936236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.616863 (E_RNA) where: Base-Base interactions energy: -63.003 where: short stacking energy: -26.094 Base-Backbone interact. energy: -1.211 local terms energy: -35.402678 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -6.607 Dist. restrs. and SS energy: -48047.319 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -48180.735812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48180.735812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.316206 (E_RNA) where: Base-Base interactions energy: -64.285 where: short stacking energy: -25.564 Base-Backbone interact. energy: -0.358 local terms energy: -22.673580 where: bonds (distance) C4'-P energy: -2.330 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: -48093.420 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -48203.776814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48203.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.680448 (E_RNA) where: Base-Base interactions energy: -64.575 where: short stacking energy: -28.877 Base-Backbone interact. energy: -0.074 local terms energy: -33.030593 where: bonds (distance) C4'-P energy: -4.467 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: -48106.096 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -48170.913401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48170.913401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.919667 (E_RNA) where: Base-Base interactions energy: -66.523 where: short stacking energy: -34.707 Base-Backbone interact. energy: 0.369 local terms energy: -29.764917 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: -48074.994 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -48152.986179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48152.986179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.696809 (E_RNA) where: Base-Base interactions energy: -51.928 where: short stacking energy: -20.468 Base-Backbone interact. energy: 0.484 local terms energy: -30.253076 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: -48071.289 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -48159.221585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48159.221585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.143418 (E_RNA) where: Base-Base interactions energy: -61.615 where: short stacking energy: -33.335 Base-Backbone interact. energy: -0.022 local terms energy: -35.506165 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -8.778 Dist. restrs. and SS energy: -48062.078 (S_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: 318 Temperature: 1.350000 Total energy: -48036.913010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48036.913010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.049323 (E_RNA) where: Base-Base interactions energy: -64.843 where: short stacking energy: -32.106 Base-Backbone interact. energy: -0.000 local terms energy: -33.206288 where: bonds (distance) C4'-P energy: -3.568 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: -47938.864 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -48423.979526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48423.979526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.857321 (E_RNA) where: Base-Base interactions energy: -68.089 where: short stacking energy: -29.276 Base-Backbone interact. energy: 0.812 local terms energy: -25.580573 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.238 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -1.149 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: -48331.122 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -48397.417794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48397.417794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.814126 (E_RNA) where: Base-Base interactions energy: -67.787 where: short stacking energy: -27.095 Base-Backbone interact. energy: -0.002 local terms energy: -31.025639 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -5.809 Dist. restrs. and SS energy: -48298.604 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -48337.694591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48337.694591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.750203 (E_RNA) where: Base-Base interactions energy: -61.923 where: short stacking energy: -26.925 Base-Backbone interact. energy: 0.197 local terms energy: -33.024368 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -3.222 Dist. restrs. and SS energy: -48242.944 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -48296.753306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48296.753306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.023808 (E_RNA) where: Base-Base interactions energy: -64.177 where: short stacking energy: -27.285 Base-Backbone interact. energy: -0.003 local terms energy: -30.844735 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -0.951 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: -48201.729 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -48260.539213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48260.539213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.081031 (E_RNA) where: Base-Base interactions energy: -64.460 where: short stacking energy: -29.118 Base-Backbone interact. energy: -0.001 local terms energy: -28.620606 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: -48167.458 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -48333.232748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48333.232748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.343132 (E_RNA) where: Base-Base interactions energy: -65.095 where: short stacking energy: -31.338 Base-Backbone interact. energy: -0.001 local terms energy: -32.246523 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -8.478 Dist. restrs. and SS energy: -48235.890 (S_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: 319 Temperature: 1.200000 Total energy: -48310.426902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48310.426902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.857788 (E_RNA) where: Base-Base interactions energy: -62.009 where: short stacking energy: -30.964 Base-Backbone interact. energy: -0.001 local terms energy: -29.847284 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -4.972 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -8.076 Dist. restrs. and SS energy: -48218.569 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -48350.384782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48350.384782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.610717 (E_RNA) where: Base-Base interactions energy: -66.827 where: short stacking energy: -27.878 Base-Backbone interact. energy: -0.011 local terms energy: -32.773028 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -8.802 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: -48250.774 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -48311.342390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48311.342390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.981442 (E_RNA) where: Base-Base interactions energy: -61.456 where: short stacking energy: -24.040 Base-Backbone interact. energy: -0.036 local terms energy: -31.489009 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: -48218.361 (S_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: 319 Temperature: 1.350000 Total energy: -48189.749504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48189.749504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.271065 (E_RNA) where: Base-Base interactions energy: -58.806 where: short stacking energy: -19.264 Base-Backbone interact. energy: 1.613 local terms energy: -14.078244 where: bonds (distance) C4'-P energy: 2.445 bonds (distance) P-C4' energy: -5.222 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: -48118.478 (S_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: 320 Temperature: 0.900000 Total energy: -48528.216124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48528.216124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.334336 (E_RNA) where: Base-Base interactions energy: -70.217 where: short stacking energy: -35.784 Base-Backbone interact. energy: -0.419 local terms energy: -33.698414 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -8.688 Dist. restrs. and SS energy: -48423.882 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -48499.792448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48499.792448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.207696 (E_RNA) where: Base-Base interactions energy: -68.947 where: short stacking energy: -19.501 Base-Backbone interact. energy: -0.005 local terms energy: -31.256036 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.663 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -4.776 Dist. restrs. and SS energy: -48399.585 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -48474.915669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48474.915669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.193387 (E_RNA) where: Base-Base interactions energy: -59.336 where: short stacking energy: -20.838 Base-Backbone interact. energy: -0.001 local terms energy: -34.856697 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: -48380.722 (S_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: 320 Temperature: 1.050000 Total energy: -48400.256568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48400.256568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.216882 (E_RNA) where: Base-Base interactions energy: -58.859 where: short stacking energy: -23.106 Base-Backbone interact. energy: -1.924 local terms energy: -27.434624 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: -48312.040 (S_DIST_RNA) chem. 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: -48438.641593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48438.641593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.361830 (E_RNA) where: Base-Base interactions energy: -65.677 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.031 local terms energy: -25.653908 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: -48347.280 (S_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: 320 Temperature: 1.150000 Total energy: -48383.920346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48383.920346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.746039 (E_RNA) where: Base-Base interactions energy: -58.204 where: short stacking energy: -27.546 Base-Backbone interact. energy: -0.004 local terms energy: -29.538449 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -0.060 tors. eta vs tors. theta energy: -7.556 Dist. restrs. and SS energy: -48296.174 (S_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: 320 Temperature: 1.200000 Total energy: -48474.051078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48474.051078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.353128 (E_RNA) where: Base-Base interactions energy: -60.152 where: short stacking energy: -15.406 Base-Backbone interact. energy: -0.012 local terms energy: -21.189265 where: bonds (distance) C4'-P energy: -1.706 bonds (distance) P-C4' energy: -6.880 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -1.958 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: -48392.698 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -48451.094214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48451.094214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.512824 (E_RNA) where: Base-Base interactions energy: -69.418 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.001 local terms energy: -31.093619 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: -48350.581 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -48538.803366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48538.803366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.649144 (E_RNA) where: Base-Base interactions energy: -66.407 where: short stacking energy: -23.453 Base-Backbone interact. energy: -0.006 local terms energy: -19.236050 where: bonds (distance) C4'-P energy: -1.328 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: 0.736 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: -48453.154 (S_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: 320 Temperature: 1.350000 Total energy: -48386.765782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48386.765782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.946604 (E_RNA) where: Base-Base interactions energy: -54.188 where: short stacking energy: -21.253 Base-Backbone interact. energy: 0.064 local terms energy: -24.822055 where: bonds (distance) C4'-P energy: -2.190 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: -48307.819 (S_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: 321 Temperature: 0.900000 Total energy: -48609.092102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48609.092102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.299536 (E_RNA) where: Base-Base interactions energy: -70.499 where: short stacking energy: -27.981 Base-Backbone interact. energy: -1.027 local terms energy: -32.773065 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: -48504.793 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -48587.636214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48587.636214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.441836 (E_RNA) where: Base-Base interactions energy: -68.139 where: short stacking energy: -26.939 Base-Backbone interact. energy: -0.003 local terms energy: -32.299705 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -6.308 Dist. restrs. and SS energy: -48487.194 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -48579.618493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48579.618493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.404262 (E_RNA) where: Base-Base interactions energy: -61.872 where: short stacking energy: -31.100 Base-Backbone interact. energy: -1.654 local terms energy: -32.877666 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: -48483.214 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -48556.437875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48556.437875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.495775 (E_RNA) where: Base-Base interactions energy: -69.748 where: short stacking energy: -31.108 Base-Backbone interact. energy: -0.038 local terms energy: -28.709159 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: -48457.942 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -48511.389797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48511.389797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.358977 (E_RNA) where: Base-Base interactions energy: -67.810 where: short stacking energy: -27.016 Base-Backbone interact. energy: -0.003 local terms energy: -23.545586 where: bonds (distance) C4'-P energy: -2.810 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -1.673 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: -48420.031 (S_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: 321 Temperature: 1.150000 Total energy: -48594.752709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48594.752709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.700944 (E_RNA) where: Base-Base interactions energy: -62.006 where: short stacking energy: -30.873 Base-Backbone interact. energy: -0.000 local terms energy: -32.694662 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: -48500.052 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -48551.465191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48551.465191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.562444 (E_RNA) where: Base-Base interactions energy: -63.318 where: short stacking energy: -23.222 Base-Backbone interact. energy: -0.050 local terms energy: -27.194170 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: -48460.903 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -48688.075230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48688.075230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.920481 (E_RNA) where: Base-Base interactions energy: -62.208 where: short stacking energy: -22.231 Base-Backbone interact. energy: -0.177 local terms energy: -18.535364 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -3.909 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: 0.733 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: -48607.155 (S_DIST_RNA) chem. 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: -48625.156508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48625.156508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.125160 (E_RNA) where: Base-Base interactions energy: -66.161 where: short stacking energy: -30.481 Base-Backbone interact. energy: -0.001 local terms energy: -33.963310 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -9.659 Dist. restrs. and SS energy: -48525.031 (S_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: 321 Temperature: 1.350000 Total energy: -48539.780481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48539.780481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.398571 (E_RNA) where: Base-Base interactions energy: -52.511 where: short stacking energy: -23.589 Base-Backbone interact. energy: -0.114 local terms energy: -22.773013 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: -48464.382 (S_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: 322 Temperature: 0.900000 Total energy: -48695.166009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48695.166009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.889553 (E_RNA) where: Base-Base interactions energy: -58.699 where: short stacking energy: -21.503 Base-Backbone interact. energy: -0.671 local terms energy: -33.519097 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: -48602.276 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -48683.488299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48683.488299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.251884 (E_RNA) where: Base-Base interactions energy: -65.995 where: short stacking energy: -33.303 Base-Backbone interact. energy: -0.001 local terms energy: -30.255542 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: 0.389 tors. eta vs tors. theta energy: -9.361 Dist. restrs. and SS energy: -48587.236 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -48689.019431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48689.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.811115 (E_RNA) where: Base-Base interactions energy: -64.207 where: short stacking energy: -33.145 Base-Backbone interact. energy: -0.001 local terms energy: -31.603152 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: -48593.208 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -48687.684788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48687.684788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.686258 (E_RNA) where: Base-Base interactions energy: -68.882 where: short stacking energy: -34.245 Base-Backbone interact. energy: -0.002 local terms energy: -30.802101 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -4.788 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -8.875 Dist. restrs. and SS energy: -48587.999 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -48728.313521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48728.313521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.019382 (E_RNA) where: Base-Base interactions energy: -60.046 where: short stacking energy: -27.867 Base-Backbone interact. energy: -0.000 local terms energy: -35.973626 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -9.116 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: -48632.294 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -48654.427978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48654.427978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.444559 (E_RNA) where: Base-Base interactions energy: -66.576 where: short stacking energy: -34.249 Base-Backbone interact. energy: -1.074 local terms energy: -32.794113 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -8.225 Dist. restrs. and SS energy: -48553.983 (S_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: 322 Temperature: 1.200000 Total energy: -48941.102721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48941.102721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.833547 (E_RNA) where: Base-Base interactions energy: -69.515 where: short stacking energy: -26.284 Base-Backbone interact. energy: 0.990 local terms energy: -23.308629 where: bonds (distance) C4'-P energy: -2.294 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -0.837 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: -48849.269 (S_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: 322 Temperature: 1.250000 Total energy: -48722.319470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48722.319470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.908960 (E_RNA) where: Base-Base interactions energy: -57.790 where: short stacking energy: -28.540 Base-Backbone interact. energy: -0.004 local terms energy: -28.114411 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: -48636.411 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -48769.813529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48769.813529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.864042 (E_RNA) where: Base-Base interactions energy: -65.187 where: short stacking energy: -24.481 Base-Backbone interact. energy: 0.543 local terms energy: -30.219853 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: -48674.949 (S_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: 322 Temperature: 1.350000 Total energy: -48719.025793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48719.025793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.630964 (E_RNA) where: Base-Base interactions energy: -54.769 where: short stacking energy: -26.307 Base-Backbone interact. energy: -0.001 local terms energy: -29.861348 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -7.712 Dist. restrs. and SS energy: -48634.395 (S_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: 323 Temperature: 0.900000 Total energy: -48807.490038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48807.490038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.375832 (E_RNA) where: Base-Base interactions energy: -65.480 where: short stacking energy: -32.412 Base-Backbone interact. energy: -0.001 local terms energy: -35.895602 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: -48706.114 (S_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: 323 Temperature: 0.950000 Total energy: -48774.611222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48774.611222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.020450 (E_RNA) where: Base-Base interactions energy: -64.649 where: short stacking energy: -27.296 Base-Backbone interact. energy: -0.002 local terms energy: -29.368927 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: -48680.591 (S_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: 323 Temperature: 1.000000 Total energy: -48795.059397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48795.059397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.300480 (E_RNA) where: Base-Base interactions energy: -65.662 where: short stacking energy: -34.470 Base-Backbone interact. energy: -0.550 local terms energy: -34.088897 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: -48694.759 (S_DIST_RNA) chem. 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: -48854.958904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48854.958904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.391059 (E_RNA) where: Base-Base interactions energy: -69.558 where: short stacking energy: -25.964 Base-Backbone interact. energy: -0.008 local terms energy: -28.824950 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: -48756.568 (S_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: 323 Temperature: 1.100000 Total energy: -48809.247835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48809.247835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.743931 (E_RNA) where: Base-Base interactions energy: -65.704 where: short stacking energy: -33.737 Base-Backbone interact. energy: -0.000 local terms energy: -33.039683 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: -48710.504 (S_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: 323 Temperature: 1.150000 Total energy: -49191.643299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49191.643299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.857455 (E_RNA) where: Base-Base interactions energy: -56.103 where: short stacking energy: -23.792 Base-Backbone interact. energy: -0.159 local terms energy: -31.595468 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -6.130 Dist. restrs. and SS energy: -49103.786 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -48801.676487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48801.676487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.979081 (E_RNA) where: Base-Base interactions energy: -65.531 where: short stacking energy: -25.529 Base-Backbone interact. energy: -0.015 local terms energy: -27.433448 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -0.284 tors. eta vs tors. theta energy: -6.556 Dist. restrs. and SS energy: -48708.697 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -48905.682462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48905.682462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.982036 (E_RNA) where: Base-Base interactions energy: -68.335 where: short stacking energy: -20.640 Base-Backbone interact. energy: -0.001 local terms energy: -26.646000 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: 1.066 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: -48810.700 (S_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: 323 Temperature: 1.300000 Total energy: -48874.013845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48874.013845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.392933 (E_RNA) where: Base-Base interactions energy: -62.644 where: short stacking energy: -22.502 Base-Backbone interact. energy: 0.044 local terms energy: -24.793449 where: bonds (distance) C4'-P energy: -6.697 bonds (distance) P-C4' energy: -5.294 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: -48786.621 (S_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: 323 Temperature: 1.350000 Total energy: -48904.856335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48904.856335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.445577 (E_RNA) where: Base-Base interactions energy: -67.899 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.006 local terms energy: -25.541007 where: bonds (distance) C4'-P energy: -4.003 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: -48811.411 (S_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: 324 Temperature: 0.900000 Total energy: -48924.924032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48924.924032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.474450 (E_RNA) where: Base-Base interactions energy: -64.419 where: short stacking energy: -25.925 Base-Backbone interact. energy: -0.418 local terms energy: -30.636841 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: -48829.450 (S_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: 324 Temperature: 0.950000 Total energy: -48896.443206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48896.443206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.196536 (E_RNA) where: Base-Base interactions energy: -67.857 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.003 local terms energy: -32.336995 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: -48796.247 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -48973.459133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48973.459133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.366619 (E_RNA) where: Base-Base interactions energy: -64.177 where: short stacking energy: -27.658 Base-Backbone interact. energy: -0.002 local terms energy: -31.187325 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -6.503 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: -48878.093 (S_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: 324 Temperature: 1.050000 Total energy: -48913.085833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48913.085833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.814438 (E_RNA) where: Base-Base interactions energy: -61.844 where: short stacking energy: -24.113 Base-Backbone interact. energy: -0.022 local terms energy: -28.948222 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: -48822.271 (S_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: 324 Temperature: 1.100000 Total energy: -49337.886543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49337.886543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.355306 (E_RNA) where: Base-Base interactions energy: -83.402 where: short stacking energy: -25.356 Base-Backbone interact. energy: -0.004 local terms energy: -19.949247 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -3.879 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: -49234.531 (S_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: 324 Temperature: 1.150000 Total energy: -48934.201183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48934.201183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.649510 (E_RNA) where: Base-Base interactions energy: -59.987 where: short stacking energy: -23.250 Base-Backbone interact. energy: -0.000 local terms energy: -34.662326 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: -48839.552 (S_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: 324 Temperature: 1.200000 Total energy: -49069.993883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49069.993883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.175034 (E_RNA) where: Base-Base interactions energy: -59.898 where: short stacking energy: -25.709 Base-Backbone interact. energy: -0.042 local terms energy: -29.234773 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: -48980.819 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -48954.446491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48954.446491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.922627 (E_RNA) where: Base-Base interactions energy: -62.259 where: short stacking energy: -32.815 Base-Backbone interact. energy: -0.001 local terms energy: -26.662719 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -1.481 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: -48865.524 (S_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: 324 Temperature: 1.300000 Total energy: -49084.406009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49084.406009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.693566 (E_RNA) where: Base-Base interactions energy: -74.011 where: short stacking energy: -23.312 Base-Backbone interact. energy: -0.071 local terms energy: -16.611369 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -1.837 flat angles P-C4'-P energy: -1.071 tors. eta vs tors. theta energy: 0.355 Dist. restrs. and SS energy: -48993.712 (S_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: 324 Temperature: 1.350000 Total energy: -49102.556090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49102.556090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.004783 (E_RNA) where: Base-Base interactions energy: -53.373 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.634 local terms energy: -29.997986 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: -49018.551 (S_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: 325 Temperature: 0.900000 Total energy: -49045.538532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49045.538532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.301883 (E_RNA) where: Base-Base interactions energy: -66.764 where: short stacking energy: -28.880 Base-Backbone interact. energy: -0.908 local terms energy: -35.629599 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.446 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -7.159 Dist. restrs. and SS energy: -48942.237 (S_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: 325 Temperature: 0.950000 Total energy: -49072.296663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49072.296663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.031876 (E_RNA) where: Base-Base interactions energy: -63.966 where: short stacking energy: -30.771 Base-Backbone interact. energy: -0.000 local terms energy: -35.065825 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.742 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -7.770 Dist. restrs. and SS energy: -48973.265 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -49026.786283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49026.786283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.795562 (E_RNA) where: Base-Base interactions energy: -72.277 where: short stacking energy: -31.350 Base-Backbone interact. energy: -0.000 local terms energy: -25.518102 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: 0.598 tors. eta vs tors. theta energy: -7.188 Dist. restrs. and SS energy: -48928.991 (S_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: 325 Temperature: 1.050000 Total energy: -49497.407903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49497.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.698761 (E_RNA) where: Base-Base interactions energy: -65.373 where: short stacking energy: -31.984 Base-Backbone interact. energy: -0.001 local terms energy: -35.325403 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -8.935 Dist. restrs. and SS energy: -49396.709 (S_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: 325 Temperature: 1.100000 Total energy: -49032.805059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49032.805059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.535501 (E_RNA) where: Base-Base interactions energy: -68.495 where: short stacking energy: -33.233 Base-Backbone interact. energy: -0.002 local terms energy: -26.038891 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -1.863 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: -48938.270 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -49244.270774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49244.270774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.253370 (E_RNA) where: Base-Base interactions energy: -63.614 where: short stacking energy: -31.869 Base-Backbone interact. energy: -0.156 local terms energy: -30.482942 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.136 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -8.199 Dist. restrs. and SS energy: -49150.017 (S_DIST_RNA) chem. 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: -49050.048388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49050.048388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.934866 (E_RNA) where: Base-Base interactions energy: -57.663 where: short stacking energy: -28.195 Base-Backbone interact. energy: -0.379 local terms energy: -29.892386 where: bonds (distance) C4'-P energy: -4.963 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -1.543 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: -48962.114 (S_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: 325 Temperature: 1.250000 Total energy: -49229.786454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49229.786454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.275743 (E_RNA) where: Base-Base interactions energy: -62.002 where: short stacking energy: -24.910 Base-Backbone interact. energy: -0.177 local terms energy: -31.096200 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -2.006 tors. eta vs tors. theta energy: -6.844 Dist. restrs. and SS energy: -49136.511 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -49145.264101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49145.264101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.392016 (E_RNA) where: Base-Base interactions energy: -67.643 where: short stacking energy: -30.854 Base-Backbone interact. energy: -0.529 local terms energy: -30.220611 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -3.880 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: -49046.872 (S_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: 325 Temperature: 1.350000 Total energy: -49288.528304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49288.528304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.462390 (E_RNA) where: Base-Base interactions energy: -60.931 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.011 local terms energy: -32.520325 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: -49195.066 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -49171.459569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49171.459569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.896163 (E_RNA) where: Base-Base interactions energy: -67.921 where: short stacking energy: -34.203 Base-Backbone interact. energy: -0.003 local terms energy: -32.972365 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: -49070.563 (S_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: 326 Temperature: 0.950000 Total energy: -49137.251699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49137.251699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.840301 (E_RNA) where: Base-Base interactions energy: -63.142 where: short stacking energy: -31.481 Base-Backbone interact. energy: -0.379 local terms energy: -33.320015 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: -49040.411 (S_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: 326 Temperature: 1.000000 Total energy: -49612.093255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49612.093255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.347583 (E_RNA) where: Base-Base interactions energy: -66.491 where: short stacking energy: -34.800 Base-Backbone interact. energy: -0.000 local terms energy: -29.856177 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -1.636 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: -49515.746 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -49144.553426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49144.553426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.776637 (E_RNA) where: Base-Base interactions energy: -66.943 where: short stacking energy: -33.632 Base-Backbone interact. energy: -0.253 local terms energy: -30.580821 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -0.579 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: -49046.777 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -49377.995085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49377.995085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.273534 (E_RNA) where: Base-Base interactions energy: -66.319 where: short stacking energy: -26.838 Base-Backbone interact. energy: 1.164 local terms energy: -34.118354 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -6.484 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -8.762 Dist. restrs. and SS energy: -49278.722 (S_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: 326 Temperature: 1.150000 Total energy: -49137.257687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49137.257687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.596966 (E_RNA) where: Base-Base interactions energy: -64.801 where: short stacking energy: -26.226 Base-Backbone interact. energy: -0.270 local terms energy: -31.525466 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: -49040.661 (S_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: 326 Temperature: 1.200000 Total energy: -49348.653668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49348.653668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.188501 (E_RNA) where: Base-Base interactions energy: -65.112 where: short stacking energy: -31.696 Base-Backbone interact. energy: 0.523 local terms energy: -31.599953 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: -49252.465 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -49199.307406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49199.307406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.417443 (E_RNA) where: Base-Base interactions energy: -69.923 where: short stacking energy: -32.158 Base-Backbone interact. energy: -0.000 local terms energy: -28.493929 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -4.707 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -2.319 tors. eta vs tors. theta energy: -6.992 Dist. restrs. and SS energy: -49100.890 (S_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: 326 Temperature: 1.300000 Total energy: -49431.509578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49431.509578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.393228 (E_RNA) where: Base-Base interactions energy: -59.114 where: short stacking energy: -29.724 Base-Backbone interact. energy: -0.000 local terms energy: -37.279030 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -7.005 Dist. restrs. and SS energy: -49335.116 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -49343.225437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49343.225437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.137010 (E_RNA) where: Base-Base interactions energy: -57.988 where: short stacking energy: -31.242 Base-Backbone interact. energy: -0.003 local terms energy: -30.145678 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: -49255.088 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -49273.970480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49273.970480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.445308 (E_RNA) where: Base-Base interactions energy: -64.635 where: short stacking energy: -34.710 Base-Backbone interact. energy: -0.000 local terms energy: -35.810077 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: -49173.525 (S_DIST_RNA) chem. 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: -49731.827755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49731.827755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.629827 (E_RNA) where: Base-Base interactions energy: -61.481 where: short stacking energy: -26.528 Base-Backbone interact. energy: -0.061 local terms energy: -34.087658 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -6.771 Dist. restrs. and SS energy: -49636.198 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -49273.022558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49273.022558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.036056 (E_RNA) where: Base-Base interactions energy: -62.194 where: short stacking energy: -26.546 Base-Backbone interact. energy: -0.450 local terms energy: -37.392694 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -8.471 Dist. restrs. and SS energy: -49172.987 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -49483.554116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49483.554116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.405875 (E_RNA) where: Base-Base interactions energy: -58.942 where: short stacking energy: -18.937 Base-Backbone interact. energy: -0.304 local terms energy: -27.159474 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: -49397.148 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -49346.537067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49346.537067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.302485 (E_RNA) where: Base-Base interactions energy: -59.838 where: short stacking energy: -29.493 Base-Backbone interact. energy: -0.005 local terms energy: -25.459857 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: -49261.235 (S_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: 327 Temperature: 1.150000 Total energy: -49474.911618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49474.911618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.109963 (E_RNA) where: Base-Base interactions energy: -65.859 where: short stacking energy: -30.842 Base-Backbone interact. energy: -0.000 local terms energy: -33.250835 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -8.144 Dist. restrs. and SS energy: -49375.802 (S_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: 327 Temperature: 1.200000 Total energy: -49252.469408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49252.469408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.471737 (E_RNA) where: Base-Base interactions energy: -60.690 where: short stacking energy: -13.615 Base-Backbone interact. energy: -0.139 local terms energy: -28.643596 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.933 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: -49162.998 (S_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: 327 Temperature: 1.250000 Total energy: -49574.342998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49574.342998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.919389 (E_RNA) where: Base-Base interactions energy: -68.417 where: short stacking energy: -25.630 Base-Backbone interact. energy: -0.016 local terms energy: -22.487234 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -1.358 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: -49483.424 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -49402.550708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49402.550708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.469983 (E_RNA) where: Base-Base interactions energy: -50.314 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.019 local terms energy: -22.137745 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -2.091 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: -49330.081 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -49527.221250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49527.221250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.154083 (E_RNA) where: Base-Base interactions energy: -56.938 where: short stacking energy: -24.779 Base-Backbone interact. energy: -0.001 local terms energy: -30.215530 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -7.741 Dist. restrs. and SS energy: -49440.067 (S_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: 328 Temperature: 0.900000 Total energy: -49818.005242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49818.005242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.473022 (E_RNA) where: Base-Base interactions energy: -64.297 where: short stacking energy: -27.598 Base-Backbone interact. energy: -1.140 local terms energy: -31.035710 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: -49721.532 (S_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: 328 Temperature: 0.950000 Total energy: -49383.292974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49383.292974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.099778 (E_RNA) where: Base-Base interactions energy: -69.335 where: short stacking energy: -36.127 Base-Backbone interact. energy: -1.055 local terms energy: -33.709910 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: -49279.193 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -49594.511822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49594.511822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.444896 (E_RNA) where: Base-Base interactions energy: -61.087 where: short stacking energy: -30.371 Base-Backbone interact. energy: -1.145 local terms energy: -35.212157 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -9.180 Dist. restrs. and SS energy: -49497.067 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -49375.841986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49375.841986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.542131 (E_RNA) where: Base-Base interactions energy: -64.920 where: short stacking energy: -24.699 Base-Backbone interact. energy: -0.000 local terms energy: -29.621548 where: bonds (distance) C4'-P energy: -4.720 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -0.710 tors. eta vs tors. theta energy: -7.768 Dist. restrs. and SS energy: -49281.300 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -49592.582733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49592.582733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.446342 (E_RNA) where: Base-Base interactions energy: -66.746 where: short stacking energy: -32.895 Base-Backbone interact. energy: -0.001 local terms energy: -33.699146 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -9.590 Dist. restrs. and SS energy: -49492.136 (S_DIST_RNA) chem. 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: -49521.953740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49521.953740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.985891 (E_RNA) where: Base-Base interactions energy: -59.900 where: short stacking energy: -32.707 Base-Backbone interact. energy: -0.039 local terms energy: -34.046652 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -6.766 Dist. restrs. and SS energy: -49427.968 (S_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: 328 Temperature: 1.200000 Total energy: -49710.062809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49710.062809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.632274 (E_RNA) where: Base-Base interactions energy: -61.881 where: short stacking energy: -33.350 Base-Backbone interact. energy: -0.000 local terms energy: -33.751179 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -7.405 Dist. restrs. and SS energy: -49614.431 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -49410.032381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49410.032381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.738006 (E_RNA) where: Base-Base interactions energy: -66.567 where: short stacking energy: -31.974 Base-Backbone interact. energy: -0.001 local terms energy: -32.169945 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -7.044 Dist. restrs. and SS energy: -49311.294 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -49671.182690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49671.182690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.494921 (E_RNA) where: Base-Base interactions energy: -56.800 where: short stacking energy: -28.564 Base-Backbone interact. energy: -0.611 local terms energy: -32.084202 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -8.385 Dist. restrs. and SS energy: -49581.688 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -49641.543867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49641.543867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.287847 (E_RNA) where: Base-Base interactions energy: -57.503 where: short stacking energy: -29.648 Base-Backbone interact. energy: -0.000 local terms energy: -37.784620 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.596 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -8.593 Dist. restrs. and SS energy: -49546.256 (S_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: 329 Temperature: 0.900000 Total energy: -49938.757811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49938.757811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.786022 (E_RNA) where: Base-Base interactions energy: -66.418 where: short stacking energy: -31.645 Base-Backbone interact. energy: -1.145 local terms energy: -33.222602 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: -49837.972 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -49704.621009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49704.621009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.707799 (E_RNA) where: Base-Base interactions energy: -59.587 where: short stacking energy: -25.065 Base-Backbone interact. energy: -0.302 local terms energy: -29.819115 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: -49614.913 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -49517.904931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49517.904931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.567969 (E_RNA) where: Base-Base interactions energy: -65.662 where: short stacking energy: -35.145 Base-Backbone interact. energy: -0.001 local terms energy: -34.905476 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -8.176 Dist. restrs. and SS energy: -49417.337 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -49728.967013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49728.967013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.946254 (E_RNA) where: Base-Base interactions energy: -61.534 where: short stacking energy: -33.138 Base-Backbone interact. energy: -0.791 local terms energy: -32.621361 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -8.846 Dist. restrs. and SS energy: -49634.021 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -49493.744865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49493.744865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.300514 (E_RNA) where: Base-Base interactions energy: -59.902 where: short stacking energy: -20.131 Base-Backbone interact. energy: -0.000 local terms energy: -30.398447 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -1.123 tors. eta vs tors. theta energy: -5.590 Dist. restrs. and SS energy: -49403.444 (S_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: 329 Temperature: 1.150000 Total energy: -49850.804543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49850.804543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.049381 (E_RNA) where: Base-Base interactions energy: -68.794 where: short stacking energy: -33.622 Base-Backbone interact. energy: -0.042 local terms energy: -33.213224 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -9.325 Dist. restrs. and SS energy: -49748.755 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -49635.178210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49635.178210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.383995 (E_RNA) where: Base-Base interactions energy: -61.117 where: short stacking energy: -24.770 Base-Backbone interact. energy: 0.096 local terms energy: -31.363445 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: -49542.794 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -49821.218024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49821.218024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.301302 (E_RNA) where: Base-Base interactions energy: -51.358 where: short stacking energy: -20.600 Base-Backbone interact. energy: -0.310 local terms energy: -20.633234 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -3.866 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: -49748.917 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -49550.389982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49550.389982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.850829 (E_RNA) where: Base-Base interactions energy: -70.216 where: short stacking energy: -28.312 Base-Backbone interact. energy: -0.001 local terms energy: -27.633479 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -3.484 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: -49452.539 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -49793.260328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49793.260328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.929723 (E_RNA) where: Base-Base interactions energy: -64.334 where: short stacking energy: -31.804 Base-Backbone interact. energy: -0.007 local terms energy: -28.589344 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: -49700.331 (S_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: 330 Temperature: 0.900000 Total energy: -50041.860809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50041.860809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.945321 (E_RNA) where: Base-Base interactions energy: -67.108 where: short stacking energy: -35.469 Base-Backbone interact. energy: -0.002 local terms energy: -37.834959 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: -49936.915 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -49789.868867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49789.868867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.313293 (E_RNA) where: Base-Base interactions energy: -75.536 where: short stacking energy: -26.422 Base-Backbone interact. energy: -0.010 local terms energy: -29.767057 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: -49684.556 (S_DIST_RNA) chem. 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: -49839.828775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49839.828775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.080341 (E_RNA) where: Base-Base interactions energy: -73.318 where: short stacking energy: -22.726 Base-Backbone interact. energy: 0.738 local terms energy: -31.500085 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: -49735.748 (S_DIST_RNA) chem. 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: -49619.204909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49619.204909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.257943 (E_RNA) where: Base-Base interactions energy: -59.551 where: short stacking energy: -22.764 Base-Backbone interact. energy: -0.015 local terms energy: -35.691840 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: -49523.947 (S_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: 330 Temperature: 1.100000 Total energy: -49997.337381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49997.337381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.035794 (E_RNA) where: Base-Base interactions energy: -69.175 where: short stacking energy: -36.044 Base-Backbone interact. energy: -0.128 local terms energy: -33.732257 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -9.078 Dist. restrs. and SS energy: -49894.302 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -49615.816300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49615.816300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.040079 (E_RNA) where: Base-Base interactions energy: -69.348 where: short stacking energy: -26.749 Base-Backbone interact. energy: 0.673 local terms energy: -25.365566 where: bonds (distance) C4'-P energy: -4.317 bonds (distance) P-C4' energy: -4.527 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: -49521.776 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -49944.620553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49944.620553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.887313 (E_RNA) where: Base-Base interactions energy: -61.626 where: short stacking energy: -17.352 Base-Backbone interact. energy: -0.067 local terms energy: -25.194171 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: 0.197 Dist. restrs. and SS energy: -49857.733 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -49802.735580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49802.735580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.026517 (E_RNA) where: Base-Base interactions energy: -63.331 where: short stacking energy: -26.569 Base-Backbone interact. energy: -0.008 local terms energy: -26.688056 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -4.214 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -5.357 Dist. restrs. and SS energy: -49712.709 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -49939.578244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49939.578244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.238486 (E_RNA) where: Base-Base interactions energy: -60.389 where: short stacking energy: -33.343 Base-Backbone interact. energy: -1.513 local terms energy: -34.336186 where: bonds (distance) C4'-P energy: -4.550 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: -49843.340 (S_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: 330 Temperature: 1.350000 Total energy: -49704.160422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49704.160422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.264167 (E_RNA) where: Base-Base interactions energy: -62.389 where: short stacking energy: -22.312 Base-Backbone interact. energy: 0.756 local terms energy: -27.630977 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -2.903 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: -49614.896 (S_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: 331 Temperature: 0.900000 Total energy: -50163.002965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50163.002965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.186029 (E_RNA) where: Base-Base interactions energy: -66.908 where: short stacking energy: -35.752 Base-Backbone interact. energy: -0.000 local terms energy: -38.277293 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.775 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: -50057.817 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -49920.045245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49920.045245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.372310 (E_RNA) where: Base-Base interactions energy: -64.265 where: short stacking energy: -24.924 Base-Backbone interact. energy: -0.000 local terms energy: -31.106773 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.295 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: -49824.673 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -49888.932488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49888.932488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.316444 (E_RNA) where: Base-Base interactions energy: -72.416 where: short stacking energy: -26.859 Base-Backbone interact. energy: -0.859 local terms energy: -27.041753 where: bonds (distance) C4'-P energy: -3.470 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: -49788.616 (S_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: 331 Temperature: 1.050000 Total energy: -50084.372486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50084.372486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.810164 (E_RNA) where: Base-Base interactions energy: -58.493 where: short stacking energy: -23.132 Base-Backbone interact. energy: -0.045 local terms energy: -29.271808 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -0.344 tors. eta vs tors. theta energy: -6.125 Dist. restrs. and SS energy: -49996.562 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -49743.911645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49743.911645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.885077 (E_RNA) where: Base-Base interactions energy: -56.543 where: short stacking energy: -25.255 Base-Backbone interact. energy: -0.354 local terms energy: -36.988690 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: -49650.027 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -50130.942127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50130.942127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.836669 (E_RNA) where: Base-Base interactions energy: -61.598 where: short stacking energy: -24.057 Base-Backbone interact. energy: -0.312 local terms energy: -24.926645 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: -50044.105 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -49788.510653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49788.510653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.172471 (E_RNA) where: Base-Base interactions energy: -63.861 where: short stacking energy: -34.137 Base-Backbone interact. energy: -0.216 local terms energy: -31.094885 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -1.672 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: -49693.338 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -50094.053867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50094.053867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.321108 (E_RNA) where: Base-Base interactions energy: -61.396 where: short stacking energy: -26.559 Base-Backbone interact. energy: -0.004 local terms energy: -25.920728 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -4.358 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: -50006.733 (S_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: 331 Temperature: 1.300000 Total energy: -49962.994650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49962.994650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.961574 (E_RNA) where: Base-Base interactions energy: -62.638 where: short stacking energy: -22.138 Base-Backbone interact. energy: -0.135 local terms energy: -28.187846 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: -49872.033 (S_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: 331 Temperature: 1.350000 Total energy: -49881.124035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49881.124035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.184247 (E_RNA) where: Base-Base interactions energy: -65.116 where: short stacking energy: -26.984 Base-Backbone interact. energy: -0.676 local terms energy: -27.392491 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -0.396 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: -49787.940 (S_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: 332 Temperature: 0.900000 Total energy: -50257.899205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50257.899205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.596367 (E_RNA) where: Base-Base interactions energy: -68.905 where: short stacking energy: -33.560 Base-Backbone interact. energy: 0.275 local terms energy: -38.966496 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -7.769 Dist. restrs. and SS energy: -50150.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -50003.021468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50003.021468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.740822 (E_RNA) where: Base-Base interactions energy: -66.637 where: short stacking energy: -33.492 Base-Backbone interact. energy: -0.001 local terms energy: -36.103146 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: -49900.281 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -50205.334294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50205.334294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.521232 (E_RNA) where: Base-Base interactions energy: -64.706 where: short stacking energy: -25.586 Base-Backbone interact. energy: -0.001 local terms energy: -26.814086 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -4.753 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: -50113.813 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -49986.476732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49986.476732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.528749 (E_RNA) where: Base-Base interactions energy: -49.226 where: short stacking energy: -21.331 Base-Backbone interact. energy: 1.584 local terms energy: -30.886038 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: -49907.948 (S_DIST_RNA) chem. 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: -50430.662675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50430.662675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.534708 (E_RNA) where: Base-Base interactions energy: -63.513 where: short stacking energy: -21.137 Base-Backbone interact. energy: -0.199 local terms energy: -23.821926 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: 1.841 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: -50343.128 (S_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: 332 Temperature: 1.150000 Total energy: -49879.977205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49879.977205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.338814 (E_RNA) where: Base-Base interactions energy: -63.350 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.349 local terms energy: -30.639515 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -7.039 Dist. restrs. and SS energy: -49785.638 (S_DIST_RNA) chem. 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: -50230.995515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50230.995515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.666481 (E_RNA) where: Base-Base interactions energy: -69.481 where: short stacking energy: -21.799 Base-Backbone interact. energy: 1.242 local terms energy: -24.426549 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -1.847 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: -50138.329 (S_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: 332 Temperature: 1.250000 Total energy: -49933.831773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49933.831773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.362464 (E_RNA) where: Base-Base interactions energy: -63.926 where: short stacking energy: -22.420 Base-Backbone interact. energy: -0.035 local terms energy: -28.402101 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: -49841.469 (S_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: 332 Temperature: 1.300000 Total energy: -50140.236240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50140.236240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.254476 (E_RNA) where: Base-Base interactions energy: -55.632 where: short stacking energy: -26.903 Base-Backbone interact. energy: -0.000 local terms energy: -32.621853 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -7.277 Dist. restrs. and SS energy: -50051.982 (S_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: 332 Temperature: 1.350000 Total energy: -50027.438551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50027.438551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.305376 (E_RNA) where: Base-Base interactions energy: -50.459 where: short stacking energy: -17.948 Base-Backbone interact. energy: -0.011 local terms energy: -26.835871 where: bonds (distance) C4'-P energy: -2.143 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: -49950.133 (S_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: 333 Temperature: 0.900000 Total energy: -50369.528320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50369.528320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.311598 (E_RNA) where: Base-Base interactions energy: -65.338 where: short stacking energy: -27.794 Base-Backbone interact. energy: -0.390 local terms energy: -34.583192 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: -50269.217 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -50314.222718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50314.222718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.134439 (E_RNA) where: Base-Base interactions energy: -61.751 where: short stacking energy: -28.038 Base-Backbone interact. energy: -1.960 local terms energy: -34.424082 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: -50216.088 (S_DIST_RNA) chem. 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: -50123.845779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50123.845779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.138601 (E_RNA) where: Base-Base interactions energy: -59.046 where: short stacking energy: -24.651 Base-Backbone interact. energy: 0.496 local terms energy: -33.588851 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: -50031.707 (S_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: -50631.606977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50631.606977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.450026 (E_RNA) where: Base-Base interactions energy: -63.036 where: short stacking energy: -35.209 Base-Backbone interact. energy: -1.184 local terms energy: -33.230153 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -8.627 Dist. restrs. and SS energy: -50534.157 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -50095.925365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50095.925365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.265148 (E_RNA) where: Base-Base interactions energy: -67.136 where: short stacking energy: -24.123 Base-Backbone interact. energy: -0.003 local terms energy: -21.125511 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: 1.822 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: -50007.660 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -50383.748168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50383.748168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.494514 (E_RNA) where: Base-Base interactions energy: -63.091 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.396 local terms energy: -34.006637 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -9.107 Dist. restrs. and SS energy: -50286.254 (S_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: 333 Temperature: 1.200000 Total energy: -50014.140205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50014.140205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.374447 (E_RNA) where: Base-Base interactions energy: -66.786 where: short stacking energy: -27.551 Base-Backbone interact. energy: -0.007 local terms energy: -28.581523 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: -49918.766 (S_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: 333 Temperature: 1.250000 Total energy: -50311.537081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50311.537081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.018100 (E_RNA) where: Base-Base interactions energy: -65.452 where: short stacking energy: -30.904 Base-Backbone interact. energy: 0.102 local terms energy: -30.668161 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -7.214 Dist. restrs. and SS energy: -50215.519 (S_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: 333 Temperature: 1.300000 Total energy: -50079.911862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50079.911862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.995900 (E_RNA) where: Base-Base interactions energy: -58.004 where: short stacking energy: -21.559 Base-Backbone interact. energy: -1.057 local terms energy: -27.934086 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: -49992.916 (S_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: 333 Temperature: 1.350000 Total energy: -50223.113095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50223.113095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.558125 (E_RNA) where: Base-Base interactions energy: -61.024 where: short stacking energy: -24.140 Base-Backbone interact. energy: -0.001 local terms energy: -27.533098 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -7.623 Dist. restrs. and SS energy: -50134.555 (S_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: 334 Temperature: 0.900000 Total energy: -50459.515197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50459.515197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.577764 (E_RNA) where: Base-Base interactions energy: -70.927 where: short stacking energy: -34.930 Base-Backbone interact. energy: -0.000 local terms energy: -32.650376 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -7.835 Dist. restrs. and SS energy: -50355.937 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -50441.811702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50441.811702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.084276 (E_RNA) where: Base-Base interactions energy: -68.618 where: short stacking energy: -35.086 Base-Backbone interact. energy: -0.001 local terms energy: -37.465303 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: -50335.727 (S_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: 334 Temperature: 1.000000 Total energy: -50741.276655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50741.276655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.673766 (E_RNA) where: Base-Base interactions energy: -61.405 where: short stacking energy: -30.178 Base-Backbone interact. energy: -0.000 local terms energy: -30.268161 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -4.113 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: -50649.603 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -50228.314232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50228.314232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.858962 (E_RNA) where: Base-Base interactions energy: -66.590 where: short stacking energy: -33.279 Base-Backbone interact. energy: -0.002 local terms energy: -35.266695 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.948 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: -50126.455 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -50494.060069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50494.060069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.820582 (E_RNA) where: Base-Base interactions energy: -60.367 where: short stacking energy: -20.063 Base-Backbone interact. energy: -0.005 local terms energy: -33.448903 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: -50400.239 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -50223.657766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50223.657766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.769421 (E_RNA) where: Base-Base interactions energy: -59.514 where: short stacking energy: -30.748 Base-Backbone interact. energy: -0.001 local terms energy: -37.254335 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: -50126.888 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -50433.831663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50433.831663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.659329 (E_RNA) where: Base-Base interactions energy: -70.544 where: short stacking energy: -28.561 Base-Backbone interact. energy: -0.158 local terms energy: -23.957517 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -3.572 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: -50339.172 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -50143.415186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50143.415186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.593058 (E_RNA) where: Base-Base interactions energy: -62.255 where: short stacking energy: -27.170 Base-Backbone interact. energy: -0.175 local terms energy: -30.163130 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: -50050.822 (S_DIST_RNA) chem. 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: -50370.318802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50370.318802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.803129 (E_RNA) where: Base-Base interactions energy: -63.692 where: short stacking energy: -25.538 Base-Backbone interact. energy: -0.000 local terms energy: -29.110246 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: -50277.516 (S_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: 334 Temperature: 1.350000 Total energy: -50275.052226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50275.052226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.228974 (E_RNA) where: Base-Base interactions energy: -58.487 where: short stacking energy: -28.473 Base-Backbone interact. energy: -0.000 local terms energy: -26.741832 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -6.139 Dist. restrs. and SS energy: -50189.823 (S_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: 335 Temperature: 0.900000 Total energy: -50554.197832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50554.197832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.837005 (E_RNA) where: Base-Base interactions energy: -74.569 where: short stacking energy: -37.808 Base-Backbone interact. energy: -0.000 local terms energy: -34.267439 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -8.193 Dist. restrs. and SS energy: -50445.361 (S_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: 335 Temperature: 0.950000 Total energy: -50832.170162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50832.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.520169 (E_RNA) where: Base-Base interactions energy: -66.773 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.004 local terms energy: -30.743039 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: -50734.650 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -50554.725886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50554.725886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.723743 (E_RNA) where: Base-Base interactions energy: -62.993 where: short stacking energy: -24.006 Base-Backbone interact. energy: -0.695 local terms energy: -28.035880 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: -50463.002 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -50600.897012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50600.897012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.449325 (E_RNA) where: Base-Base interactions energy: -74.776 where: short stacking energy: -28.317 Base-Backbone interact. energy: -0.051 local terms energy: -25.622515 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: -50500.448 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -50353.889232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50353.889232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.664110 (E_RNA) where: Base-Base interactions energy: -63.594 where: short stacking energy: -30.973 Base-Backbone interact. energy: -0.001 local terms energy: -35.069216 where: bonds (distance) C4'-P energy: -7.460 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -7.578 Dist. restrs. and SS energy: -50255.225 (S_DIST_RNA) chem. 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: -50650.952423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50650.952423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.507186 (E_RNA) where: Base-Base interactions energy: -58.348 where: short stacking energy: -23.212 Base-Backbone interact. energy: -0.374 local terms energy: -32.785171 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: -50559.445 (S_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: 335 Temperature: 1.200000 Total energy: -50359.601756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50359.601756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.119560 (E_RNA) where: Base-Base interactions energy: -56.804 where: short stacking energy: -23.463 Base-Backbone interact. energy: -0.001 local terms energy: -29.314478 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -7.277 Dist. restrs. and SS energy: -50273.482 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -50546.474498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50546.474498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.894541 (E_RNA) where: Base-Base interactions energy: -64.741 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.056 local terms energy: -30.097575 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: -50451.580 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -50324.304893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50324.304893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.303340 (E_RNA) where: Base-Base interactions energy: -64.209 where: short stacking energy: -33.838 Base-Backbone interact. energy: -0.001 local terms energy: -31.093712 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -6.702 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -9.165 Dist. restrs. and SS energy: -50229.002 (S_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: 335 Temperature: 1.350000 Total energy: -50478.339257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50478.339257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.900634 (E_RNA) where: Base-Base interactions energy: -60.843 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.004 local terms energy: -33.053962 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -8.398 Dist. restrs. and SS energy: -50384.439 (S_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: 336 Temperature: 0.900000 Total energy: -50922.928428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50922.928428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.360632 (E_RNA) where: Base-Base interactions energy: -71.934 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.691 local terms energy: -31.735000 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: -50818.568 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -50656.053553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50656.053553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.543642 (E_RNA) where: Base-Base interactions energy: -65.759 where: short stacking energy: -24.699 Base-Backbone interact. energy: -0.011 local terms energy: -31.773132 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -1.835 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: -50558.510 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -50692.221670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50692.221670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.358662 (E_RNA) where: Base-Base interactions energy: -65.502 where: short stacking energy: -29.488 Base-Backbone interact. energy: -1.078 local terms energy: -31.778620 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -6.334 Dist. restrs. and SS energy: -50593.863 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -50705.901357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50705.901357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.642057 (E_RNA) where: Base-Base interactions energy: -66.557 where: short stacking energy: -27.721 Base-Backbone interact. energy: -0.001 local terms energy: -33.084925 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -7.505 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -5.576 Dist. restrs. and SS energy: -50606.259 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -50804.229108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50804.229108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.224790 (E_RNA) where: Base-Base interactions energy: -65.107 where: short stacking energy: -29.961 Base-Backbone interact. energy: -1.452 local terms energy: -30.665622 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -5.655 Dist. restrs. and SS energy: -50707.004 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -50476.661975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50476.661975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.370915 (E_RNA) where: Base-Base interactions energy: -68.789 where: short stacking energy: -26.464 Base-Backbone interact. energy: -0.241 local terms energy: -25.341227 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -0.154 tors. eta vs tors. theta energy: -7.105 Dist. restrs. and SS energy: -50382.291 (S_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: 336 Temperature: 1.200000 Total energy: -50672.239078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50672.239078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.950025 (E_RNA) where: Base-Base interactions energy: -54.448 where: short stacking energy: -27.759 Base-Backbone interact. energy: -0.000 local terms energy: -24.501601 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -4.615 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: -50593.289 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -50501.792488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50501.792488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.432786 (E_RNA) where: Base-Base interactions energy: -63.372 where: short stacking energy: -30.729 Base-Backbone interact. energy: -0.000 local terms energy: -32.060139 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: -50406.360 (S_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: 336 Temperature: 1.300000 Total energy: -50694.333535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50694.333535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.671962 (E_RNA) where: Base-Base interactions energy: -57.941 where: short stacking energy: -17.383 Base-Backbone interact. energy: -0.024 local terms energy: -25.706536 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: -50610.662 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -50489.825232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50489.825232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.960326 (E_RNA) where: Base-Base interactions energy: -58.261 where: short stacking energy: -28.404 Base-Backbone interact. energy: 1.929 local terms energy: -29.628464 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: -50403.865 (S_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: 337 Temperature: 0.900000 Total energy: -50979.800924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50979.800924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.401485 (E_RNA) where: Base-Base interactions energy: -66.102 where: short stacking energy: -28.263 Base-Backbone interact. energy: -0.530 local terms energy: -33.769737 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: -50879.399 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -50812.318411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50812.318411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.565320 (E_RNA) where: Base-Base interactions energy: -63.522 where: short stacking energy: -34.430 Base-Backbone interact. energy: -0.006 local terms energy: -37.037238 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -8.383 Dist. restrs. and SS energy: -50711.753 (S_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: 337 Temperature: 1.000000 Total energy: -50782.497351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50782.497351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.521385 (E_RNA) where: Base-Base interactions energy: -70.694 where: short stacking energy: -25.407 Base-Backbone interact. energy: -0.001 local terms energy: -28.826623 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -7.159 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -6.426 Dist. restrs. and SS energy: -50682.976 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -50930.808970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50930.808970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.202016 (E_RNA) where: Base-Base interactions energy: -69.495 where: short stacking energy: -34.467 Base-Backbone interact. energy: -0.000 local terms energy: -30.706451 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -9.701 Dist. restrs. and SS energy: -50830.607 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -50817.173065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50817.173065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.570511 (E_RNA) where: Base-Base interactions energy: -65.582 where: short stacking energy: -34.220 Base-Backbone interact. energy: -0.851 local terms energy: -36.138201 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -8.988 Dist. restrs. and SS energy: -50714.603 (S_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: 337 Temperature: 1.150000 Total energy: -50830.982775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50830.982775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.943215 (E_RNA) where: Base-Base interactions energy: -67.907 where: short stacking energy: -26.662 Base-Backbone interact. energy: -0.216 local terms energy: -25.820426 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: -50737.040 (S_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: 337 Temperature: 1.200000 Total energy: -50612.974655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50612.974655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.803299 (E_RNA) where: Base-Base interactions energy: -63.867 where: short stacking energy: -29.200 Base-Backbone interact. energy: -0.689 local terms energy: -28.246754 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -8.115 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: -50520.171 (S_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: -50881.634564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50881.634564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.820006 (E_RNA) where: Base-Base interactions energy: -61.570 where: short stacking energy: -21.902 Base-Backbone interact. energy: -0.722 local terms energy: -22.527895 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: -50796.815 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -50662.464613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50662.464613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.307548 (E_RNA) where: Base-Base interactions energy: -63.206 where: short stacking energy: -19.911 Base-Backbone interact. energy: -0.028 local terms energy: -22.074447 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -0.051 tors. eta vs tors. theta energy: 0.105 Dist. restrs. and SS energy: -50577.157 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -50649.424300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50649.424300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.602188 (E_RNA) where: Base-Base interactions energy: -54.140 where: short stacking energy: -22.705 Base-Backbone interact. energy: -0.012 local terms energy: -28.450482 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: -50566.822 (S_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: 338 Temperature: 0.900000 Total energy: -51065.313807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51065.313807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.504066 (E_RNA) where: Base-Base interactions energy: -73.355 where: short stacking energy: -28.445 Base-Backbone interact. energy: -0.361 local terms energy: -29.788983 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: -50961.810 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -50921.333320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50921.333320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.951228 (E_RNA) where: Base-Base interactions energy: -70.063 where: short stacking energy: -34.653 Base-Backbone interact. energy: -0.399 local terms energy: -30.490029 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: -50820.382 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -51045.442131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51045.442131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.378940 (E_RNA) where: Base-Base interactions energy: -64.591 where: short stacking energy: -36.312 Base-Backbone interact. energy: -0.176 local terms energy: -32.611866 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -8.761 Dist. restrs. and SS energy: -50948.063 (S_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: 338 Temperature: 1.050000 Total energy: -50926.939713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50926.939713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.096537 (E_RNA) where: Base-Base interactions energy: -66.018 where: short stacking energy: -28.005 Base-Backbone interact. energy: -0.001 local terms energy: -30.076721 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -7.033 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: -50830.843 (S_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: 338 Temperature: 1.100000 Total energy: -50985.763367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50985.763367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.766709 (E_RNA) where: Base-Base interactions energy: -63.946 where: short stacking energy: -22.834 Base-Backbone interact. energy: -0.029 local terms energy: -23.791698 where: bonds (distance) C4'-P energy: -3.776 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: -50897.997 (S_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: 338 Temperature: 1.150000 Total energy: -50938.872082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50938.872082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.120093 (E_RNA) where: Base-Base interactions energy: -63.456 where: short stacking energy: -30.324 Base-Backbone interact. energy: -0.000 local terms energy: -29.664277 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: -50845.752 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -51030.814866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51030.814866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.722256 (E_RNA) where: Base-Base interactions energy: -65.364 where: short stacking energy: -33.412 Base-Backbone interact. energy: -0.164 local terms energy: -30.194540 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -2.501 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: -50935.093 (S_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: 338 Temperature: 1.250000 Total energy: -50726.195850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50726.195850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.989548 (E_RNA) where: Base-Base interactions energy: -57.436 where: short stacking energy: -29.575 Base-Backbone interact. energy: -0.000 local terms energy: -32.552989 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -7.143 Dist. restrs. and SS energy: -50636.206 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -50842.914314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50842.914314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.800217 (E_RNA) where: Base-Base interactions energy: -58.813 where: short stacking energy: -23.242 Base-Backbone interact. energy: -0.002 local terms energy: -26.986130 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: -50757.114 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -50828.858031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50828.858031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.048611 (E_RNA) where: Base-Base interactions energy: -58.131 where: short stacking energy: -17.075 Base-Backbone interact. energy: -0.012 local terms energy: -21.905670 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -5.021 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: 0.201 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: -50748.809 (S_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: 339 Temperature: 0.900000 Total energy: -51136.151671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51136.151671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.023565 (E_RNA) where: Base-Base interactions energy: -66.475 where: short stacking energy: -27.229 Base-Backbone interact. energy: -0.273 local terms energy: -34.276032 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: -51035.128 (S_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: 339 Temperature: 0.950000 Total energy: -51160.471600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51160.471600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.482385 (E_RNA) where: Base-Base interactions energy: -72.971 where: short stacking energy: -29.270 Base-Backbone interact. energy: -0.028 local terms energy: -33.484070 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: -51053.989 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -51016.706214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51016.706214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.774930 (E_RNA) where: Base-Base interactions energy: -63.273 where: short stacking energy: -27.309 Base-Backbone interact. energy: -0.004 local terms energy: -30.498158 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -2.551 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: -50922.931 (S_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: 339 Temperature: 1.050000 Total energy: -51092.266694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51092.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.458361 (E_RNA) where: Base-Base interactions energy: -63.742 where: short stacking energy: -29.887 Base-Backbone interact. energy: -0.001 local terms energy: -29.715386 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: -50998.808 (S_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: 339 Temperature: 1.100000 Total energy: -51112.328182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51112.328182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.648951 (E_RNA) where: Base-Base interactions energy: -60.303 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.010 local terms energy: -25.335812 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: -51026.679 (S_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: 339 Temperature: 1.150000 Total energy: -51150.374015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51150.374015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.408961 (E_RNA) where: Base-Base interactions energy: -65.054 where: short stacking energy: -30.602 Base-Backbone interact. energy: -0.092 local terms energy: -29.262409 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -4.341 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: -51055.965 (S_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: 339 Temperature: 1.200000 Total energy: -51200.729122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51200.729122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.567816 (E_RNA) where: Base-Base interactions energy: -68.708 where: short stacking energy: -25.555 Base-Backbone interact. energy: -0.009 local terms energy: -25.851208 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -0.040 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: -51106.161 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -50994.593893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50994.593893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.365481 (E_RNA) where: Base-Base interactions energy: -64.664 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.020 local terms energy: -20.681182 where: bonds (distance) C4'-P energy: -2.529 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: 1.925 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: -50909.228 (S_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: 339 Temperature: 1.300000 Total energy: -50912.303166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50912.303166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.845886 (E_RNA) where: Base-Base interactions energy: -56.407 where: short stacking energy: -28.201 Base-Backbone interact. energy: -0.005 local terms energy: -26.433052 where: bonds (distance) C4'-P energy: -2.880 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: -50829.457 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -51012.690843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51012.690843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.669074 (E_RNA) where: Base-Base interactions energy: -66.422 where: short stacking energy: -28.923 Base-Backbone interact. energy: -0.003 local terms energy: -29.244017 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: -50917.022 (S_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: 340 Temperature: 0.900000 Total energy: -51256.142026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51256.142026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.309384 (E_RNA) where: Base-Base interactions energy: -66.521 where: short stacking energy: -26.620 Base-Backbone interact. energy: -0.008 local terms energy: -31.781114 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -8.643 Dist. restrs. and SS energy: -51157.833 (S_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: 340 Temperature: 0.950000 Total energy: -51238.500380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51238.500380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.650984 (E_RNA) where: Base-Base interactions energy: -66.201 where: short stacking energy: -26.439 Base-Backbone interact. energy: 0.566 local terms energy: -33.016878 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: -51139.849 (S_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: 340 Temperature: 1.000000 Total energy: -51211.232531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51211.232531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.692642 (E_RNA) where: Base-Base interactions energy: -64.454 where: short stacking energy: -31.646 Base-Backbone interact. energy: -0.004 local terms energy: -31.235144 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: -51115.540 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -51118.854687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51118.854687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.972863 (E_RNA) where: Base-Base interactions energy: -63.318 where: short stacking energy: -27.141 Base-Backbone interact. energy: -0.006 local terms energy: -31.649192 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -5.516 Dist. restrs. and SS energy: -51023.882 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -51267.599956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51267.599956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.817560 (E_RNA) where: Base-Base interactions energy: -68.204 where: short stacking energy: -30.436 Base-Backbone interact. energy: -0.851 local terms energy: -26.763073 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.732 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: -51171.782 (S_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: 340 Temperature: 1.150000 Total energy: -51267.863838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51267.863838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.968641 (E_RNA) where: Base-Base interactions energy: -68.147 where: short stacking energy: -29.888 Base-Backbone interact. energy: -0.003 local terms energy: -31.818808 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -7.816 Dist. restrs. and SS energy: -51167.895 (S_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: 340 Temperature: 1.200000 Total energy: -51360.413591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51360.413591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.989670 (E_RNA) where: Base-Base interactions energy: -60.201 where: short stacking energy: -24.586 Base-Backbone interact. energy: -0.010 local terms energy: -26.778206 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -6.108 Dist. restrs. and SS energy: -51273.424 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -51163.744001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51163.744001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.134169 (E_RNA) where: Base-Base interactions energy: -58.405 where: short stacking energy: -22.826 Base-Backbone interact. energy: -0.092 local terms energy: -21.637180 where: bonds (distance) C4'-P energy: -5.344 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: -51083.610 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -51178.769037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51178.769037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.846713 (E_RNA) where: Base-Base interactions energy: -60.375 where: short stacking energy: -28.679 Base-Backbone interact. energy: -0.003 local terms energy: -32.468396 where: bonds (distance) C4'-P energy: -4.458 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -7.334 Dist. restrs. and SS energy: -51085.922 (S_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: 340 Temperature: 1.350000 Total energy: -51111.488173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51111.488173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.800483 (E_RNA) where: Base-Base interactions energy: -46.788 where: short stacking energy: -19.447 Base-Backbone interact. energy: -0.087 local terms energy: -22.925547 where: bonds (distance) C4'-P energy: -2.127 bonds (distance) P-C4' energy: -4.980 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -6.773 Dist. restrs. and SS energy: -51041.688 (S_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: 341 Temperature: 0.900000 Total energy: -51344.550537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51344.550537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.959435 (E_RNA) where: Base-Base interactions energy: -68.114 where: short stacking energy: -34.236 Base-Backbone interact. energy: -0.140 local terms energy: -34.705044 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: -51241.591 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -51299.415035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51299.415035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.757082 (E_RNA) where: Base-Base interactions energy: -65.472 where: short stacking energy: -24.697 Base-Backbone interact. energy: -0.000 local terms energy: -37.284515 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -6.930 Dist. restrs. and SS energy: -51196.658 (S_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: 341 Temperature: 1.000000 Total energy: -51395.871374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51395.871374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.758245 (E_RNA) where: Base-Base interactions energy: -63.547 where: short stacking energy: -21.776 Base-Backbone interact. energy: -0.089 local terms energy: -32.122023 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -1.868 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: -51300.113 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -51378.774109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51378.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.468358 (E_RNA) where: Base-Base interactions energy: -65.582 where: short stacking energy: -31.120 Base-Backbone interact. energy: -0.000 local terms energy: -32.886487 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: -6.619 Dist. restrs. and SS energy: -51280.306 (S_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: 341 Temperature: 1.100000 Total energy: -51253.144928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51253.144928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.634442 (E_RNA) where: Base-Base interactions energy: -69.357 where: short stacking energy: -26.231 Base-Backbone interact. energy: -0.001 local terms energy: -31.276090 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.157 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -1.145 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: -51152.510 (S_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: 341 Temperature: 1.150000 Total energy: -51465.921231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51465.921231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.933173 (E_RNA) where: Base-Base interactions energy: -63.551 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.102 local terms energy: -30.280817 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: -51371.988 (S_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: 341 Temperature: 1.200000 Total energy: -51367.329676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51367.329676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.646591 (E_RNA) where: Base-Base interactions energy: -65.701 where: short stacking energy: -30.089 Base-Backbone interact. energy: -0.004 local terms energy: -29.941945 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -6.431 Dist. restrs. and SS energy: -51271.683 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -51297.562041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51297.562041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.747522 (E_RNA) where: Base-Base interactions energy: -51.943 where: short stacking energy: -24.365 Base-Backbone interact. energy: -1.404 local terms energy: -33.400701 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: -51210.815 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -51318.925966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51318.925966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.093940 (E_RNA) where: Base-Base interactions energy: -62.595 where: short stacking energy: -23.897 Base-Backbone interact. energy: -0.011 local terms energy: -24.487629 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -3.087 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: -51231.832 (S_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: 341 Temperature: 1.350000 Total energy: -51422.430417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51422.430417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.542489 (E_RNA) where: Base-Base interactions energy: -40.869 where: short stacking energy: -15.872 Base-Backbone interact. energy: -0.086 local terms energy: -21.587518 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -0.306 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: -51359.888 (S_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: 342 Temperature: 0.900000 Total energy: -51434.099824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51434.099824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.224030 (E_RNA) where: Base-Base interactions energy: -66.766 where: short stacking energy: -28.502 Base-Backbone interact. energy: -0.634 local terms energy: -33.823169 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.553 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: -51332.876 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -51404.914963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51404.914963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.964686 (E_RNA) where: Base-Base interactions energy: -67.318 where: short stacking energy: -21.551 Base-Backbone interact. energy: -0.017 local terms energy: -24.629976 where: bonds (distance) C4'-P energy: -2.157 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: -51312.950 (S_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: 342 Temperature: 1.000000 Total energy: -51502.473658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51502.473658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.003471 (E_RNA) where: Base-Base interactions energy: -63.309 where: short stacking energy: -30.515 Base-Backbone interact. energy: 0.126 local terms energy: -33.820149 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: -51405.470 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -51511.073538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51511.073538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.602085 (E_RNA) where: Base-Base interactions energy: -69.602 where: short stacking energy: -29.304 Base-Backbone interact. energy: -0.012 local terms energy: -25.988268 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.168 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: -51415.471 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -51951.376379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51951.376379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.777573 (E_RNA) where: Base-Base interactions energy: -59.510 where: short stacking energy: -20.916 Base-Backbone interact. energy: -1.361 local terms energy: -25.905910 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.601 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -1.494 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: -51864.599 (S_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: 342 Temperature: 1.150000 Total energy: -51386.952020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51386.952020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.195957 (E_RNA) where: Base-Base interactions energy: -63.665 where: short stacking energy: -26.647 Base-Backbone interact. energy: -0.001 local terms energy: -31.530208 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: -51291.756 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -51496.581328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51496.581328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.617611 (E_RNA) where: Base-Base interactions energy: -64.969 where: short stacking energy: -25.864 Base-Backbone interact. energy: -0.000 local terms energy: -26.648623 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: -51404.964 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -51447.583162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51447.583162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.603905 (E_RNA) where: Base-Base interactions energy: -60.092 where: short stacking energy: -29.757 Base-Backbone interact. energy: -0.101 local terms energy: -31.411703 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -7.311 flat angles C4'-P-C4' energy: -8.028 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: -51355.979 (S_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: 342 Temperature: 1.300000 Total energy: -51667.554997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51667.554997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.944201 (E_RNA) where: Base-Base interactions energy: -47.131 where: short stacking energy: -20.350 Base-Backbone interact. energy: 0.641 local terms energy: -18.454089 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: 1.188 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: -51602.611 (S_DIST_RNA) chem. 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: -51489.363514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51489.363514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.769219 (E_RNA) where: Base-Base interactions energy: -58.609 where: short stacking energy: -28.417 Base-Backbone interact. energy: -0.002 local terms energy: -33.158478 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -9.025 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: -51397.594 (S_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: 343 Temperature: 0.900000 Total energy: -51531.818771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51531.818771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.603988 (E_RNA) where: Base-Base interactions energy: -66.831 where: short stacking energy: -32.748 Base-Backbone interact. energy: -0.450 local terms energy: -30.323222 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -4.757 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: -51434.215 (S_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: 343 Temperature: 0.950000 Total energy: -51589.155770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51589.155770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.979146 (E_RNA) where: Base-Base interactions energy: -62.449 where: short stacking energy: -26.708 Base-Backbone interact. energy: -0.006 local terms energy: -26.524134 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -2.712 flat angles P-C4'-P energy: 0.121 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: -51500.177 (S_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: 343 Temperature: 1.000000 Total energy: -51536.132674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51536.132674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.363873 (E_RNA) where: Base-Base interactions energy: -71.608 where: short stacking energy: -26.553 Base-Backbone interact. energy: -0.001 local terms energy: -27.754698 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: -51436.769 (S_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: 343 Temperature: 1.050000 Total energy: -52178.019098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52178.019098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.222643 (E_RNA) where: Base-Base interactions energy: -48.825 where: short stacking energy: -20.054 Base-Backbone interact. energy: -0.008 local terms energy: -29.389424 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: -52099.796 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -51652.131941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51652.131941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.673032 (E_RNA) where: Base-Base interactions energy: -66.289 where: short stacking energy: -29.068 Base-Backbone interact. energy: -0.538 local terms energy: -29.846019 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -5.741 Dist. restrs. and SS energy: -51555.459 (S_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: 343 Temperature: 1.150000 Total energy: -51623.710988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51623.710988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.005004 (E_RNA) where: Base-Base interactions energy: -68.693 where: short stacking energy: -23.514 Base-Backbone interact. energy: 0.398 local terms energy: -28.710231 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -3.886 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: -51526.706 (S_DIST_RNA) chem. 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: -51508.800860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51508.800860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.307543 (E_RNA) where: Base-Base interactions energy: -61.373 where: short stacking energy: -29.226 Base-Backbone interact. energy: -0.003 local terms energy: -30.931491 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -3.684 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -9.207 Dist. restrs. and SS energy: -51416.493 (S_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: 343 Temperature: 1.250000 Total energy: -51854.001028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51854.001028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.982565 (E_RNA) where: Base-Base interactions energy: -56.524 where: short stacking energy: -20.750 Base-Backbone interact. energy: -0.636 local terms energy: -34.822998 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -7.836 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -5.778 Dist. restrs. and SS energy: -51762.018 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -51624.280309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51624.280309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.930542 (E_RNA) where: Base-Base interactions energy: -62.941 where: short stacking energy: -20.620 Base-Backbone interact. energy: -0.533 local terms energy: -28.456779 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: -51532.350 (S_DIST_RNA) chem. 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: -51681.670227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51681.670227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.866860 (E_RNA) where: Base-Base interactions energy: -62.651 where: short stacking energy: -26.860 Base-Backbone interact. energy: -0.005 local terms energy: -31.210458 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.632 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: -51587.803 (S_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: 344 Temperature: 0.900000 Total energy: -51702.859693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51702.859693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.535564 (E_RNA) where: Base-Base interactions energy: -68.321 where: short stacking energy: -32.448 Base-Backbone interact. energy: -0.000 local terms energy: -35.213939 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -8.255 Dist. restrs. and SS energy: -51599.324 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -51635.720322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51635.720322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.422574 (E_RNA) where: Base-Base interactions energy: -70.801 where: short stacking energy: -35.973 Base-Backbone interact. energy: -0.000 local terms energy: -33.621076 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -8.825 Dist. restrs. and SS energy: -51531.298 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -52268.562153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52268.562153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.869033 (E_RNA) where: Base-Base interactions energy: -63.060 where: short stacking energy: -32.912 Base-Backbone interact. energy: -0.004 local terms energy: -33.804590 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: -52171.693 (S_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: 344 Temperature: 1.050000 Total energy: -51668.773278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51668.773278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.158265 (E_RNA) where: Base-Base interactions energy: -64.386 where: short stacking energy: -24.626 Base-Backbone interact. energy: -0.581 local terms energy: -35.191540 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: -51568.615 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -51781.611269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51781.611269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.121628 (E_RNA) where: Base-Base interactions energy: -66.891 where: short stacking energy: -33.433 Base-Backbone interact. energy: -1.360 local terms energy: -31.869760 where: bonds (distance) C4'-P energy: -1.767 bonds (distance) P-C4' energy: -7.476 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: -51681.490 (S_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: 344 Temperature: 1.150000 Total energy: -51741.523768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51741.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.568889 (E_RNA) where: Base-Base interactions energy: -64.485 where: short stacking energy: -32.670 Base-Backbone interact. energy: -0.545 local terms energy: -35.539651 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -8.227 Dist. restrs. and SS energy: -51640.955 (S_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: 344 Temperature: 1.200000 Total energy: -51969.962226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51969.962226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.668383 (E_RNA) where: Base-Base interactions energy: -62.237 where: short stacking energy: -28.777 Base-Backbone interact. energy: -0.417 local terms energy: -28.013804 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: -51879.294 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -51687.358258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51687.358258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.237418 (E_RNA) where: Base-Base interactions energy: -66.514 where: short stacking energy: -22.354 Base-Backbone interact. energy: -0.000 local terms energy: -27.723285 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -7.561 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: -51593.121 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -51845.484003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51845.484003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.802836 (E_RNA) where: Base-Base interactions energy: -62.209 where: short stacking energy: -21.982 Base-Backbone interact. energy: -0.213 local terms energy: -25.381089 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -1.864 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: -51757.681 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -51786.646991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51786.646991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.102758 (E_RNA) where: Base-Base interactions energy: -61.285 where: short stacking energy: -28.027 Base-Backbone interact. energy: -0.212 local terms energy: -26.606275 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: -51698.544 (S_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: 345 Temperature: 0.900000 Total energy: -51792.451486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51792.451486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.633046 (E_RNA) where: Base-Base interactions energy: -70.563 where: short stacking energy: -35.708 Base-Backbone interact. energy: -0.000 local terms energy: -33.069306 where: bonds (distance) C4'-P energy: -6.900 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -0.279 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: -51688.818 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -52365.776761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52365.776761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.409168 (E_RNA) where: Base-Base interactions energy: -68.298 where: short stacking energy: -35.580 Base-Backbone interact. energy: -0.005 local terms energy: -33.106202 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -6.987 Dist. restrs. and SS energy: -52264.368 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -51766.110606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51766.110606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.120360 (E_RNA) where: Base-Base interactions energy: -70.452 where: short stacking energy: -34.994 Base-Backbone interact. energy: -0.000 local terms energy: -34.668636 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: -51660.990 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -51894.488013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51894.488013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.776444 (E_RNA) where: Base-Base interactions energy: -64.916 where: short stacking energy: -26.232 Base-Backbone interact. energy: -0.000 local terms energy: -26.859840 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: 2.313 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: -51802.712 (S_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: 345 Temperature: 1.100000 Total energy: -51804.785686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51804.785686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.721838 (E_RNA) where: Base-Base interactions energy: -64.766 where: short stacking energy: -34.008 Base-Backbone interact. energy: -0.582 local terms energy: -32.373414 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: -51707.064 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -52115.144125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52115.144125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.236658 (E_RNA) where: Base-Base interactions energy: -59.932 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.160 local terms energy: -32.144782 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: -52022.907 (S_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: 345 Temperature: 1.200000 Total energy: -51871.890651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51871.890651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.156572 (E_RNA) where: Base-Base interactions energy: -49.357 where: short stacking energy: -20.806 Base-Backbone interact. energy: -0.052 local terms energy: -29.747671 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: -51792.734 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -52003.611560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52003.611560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.557529 (E_RNA) where: Base-Base interactions energy: -65.283 where: short stacking energy: -35.375 Base-Backbone interact. energy: -0.176 local terms energy: -29.098924 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: -51909.054 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -51950.400792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51950.400792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.969727 (E_RNA) where: Base-Base interactions energy: -49.522 where: short stacking energy: -21.312 Base-Backbone interact. energy: -0.105 local terms energy: -28.342348 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: -51872.431 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -51957.273599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51957.273599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.377851 (E_RNA) where: Base-Base interactions energy: -57.419 where: short stacking energy: -27.281 Base-Backbone interact. energy: -0.001 local terms energy: -26.957499 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -1.011 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: -51872.896 (S_DIST_RNA) chem. 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: -52466.606860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52466.606860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.860043 (E_RNA) where: Base-Base interactions energy: -63.708 where: short stacking energy: -30.794 Base-Backbone interact. energy: -0.001 local terms energy: -29.151278 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.458 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -1.558 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: -52373.747 (S_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: 346 Temperature: 0.950000 Total energy: -51915.655952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51915.655952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.360041 (E_RNA) where: Base-Base interactions energy: -70.169 where: short stacking energy: -31.110 Base-Backbone interact. energy: -0.000 local terms energy: -30.190702 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: -51815.296 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -52001.545975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52001.545975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.886876 (E_RNA) where: Base-Base interactions energy: -61.172 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.174 local terms energy: -35.541587 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: -51904.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -51882.782136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51882.782136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.895956 (E_RNA) where: Base-Base interactions energy: -66.371 where: short stacking energy: -28.015 Base-Backbone interact. energy: -0.002 local terms energy: -25.523623 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -3.910 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -1.131 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: -51790.886 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -52250.648593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52250.648593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.433406 (E_RNA) where: Base-Base interactions energy: -67.710 where: short stacking energy: -24.884 Base-Backbone interact. energy: -0.002 local terms energy: -26.721063 where: bonds (distance) C4'-P energy: -4.809 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: -52156.215 (S_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: 346 Temperature: 1.150000 Total energy: -51943.796282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51943.796282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.248860 (E_RNA) where: Base-Base interactions energy: -65.340 where: short stacking energy: -31.072 Base-Backbone interact. energy: -0.000 local terms energy: -31.908232 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -2.163 tors. eta vs tors. theta energy: -8.153 Dist. restrs. and SS energy: -51846.547 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -52141.135936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52141.135936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.662545 (E_RNA) where: Base-Base interactions energy: -61.128 where: short stacking energy: -20.202 Base-Backbone interact. energy: -0.001 local terms energy: -29.533822 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: -52050.473 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -52098.619630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52098.619630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.628572 (E_RNA) where: Base-Base interactions energy: -63.699 where: short stacking energy: -32.933 Base-Backbone interact. energy: -0.875 local terms energy: -30.054766 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -1.490 tors. eta vs tors. theta energy: -7.467 Dist. restrs. and SS energy: -52003.991 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -52138.302143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52138.302143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.612078 (E_RNA) where: Base-Base interactions energy: -51.063 where: short stacking energy: -20.062 Base-Backbone interact. energy: -0.105 local terms energy: -29.443911 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: -52057.690 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -52128.252105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52128.252105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.799214 (E_RNA) where: Base-Base interactions energy: -56.710 where: short stacking energy: -22.662 Base-Backbone interact. energy: -0.023 local terms energy: -19.066245 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: 3.773 tors. eta vs tors. theta energy: -5.073 Dist. restrs. and SS energy: -52052.453 (S_DIST_RNA) chem. 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: -52550.924348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52550.924348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.203834 (E_RNA) where: Base-Base interactions energy: -67.775 where: short stacking energy: -24.416 Base-Backbone interact. energy: -0.049 local terms energy: -26.379778 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: 1.898 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: -52456.721 (S_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: 347 Temperature: 0.950000 Total energy: -52127.772639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52127.772639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.518553 (E_RNA) where: Base-Base interactions energy: -63.965 where: short stacking energy: -30.368 Base-Backbone interact. energy: -0.000 local terms energy: -36.553289 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -8.869 Dist. restrs. and SS energy: -52027.254 (S_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: 347 Temperature: 1.000000 Total energy: -52030.351673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52030.351673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.932239 (E_RNA) where: Base-Base interactions energy: -67.955 where: short stacking energy: -33.900 Base-Backbone interact. energy: -0.000 local terms energy: -34.977014 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.774 flat angles P-C4'-P energy: -1.772 tors. eta vs tors. theta energy: -9.513 Dist. restrs. and SS energy: -51927.419 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -52428.508868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52428.508868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.321453 (E_RNA) where: Base-Base interactions energy: -66.326 where: short stacking energy: -25.575 Base-Backbone interact. energy: 0.205 local terms energy: -30.200643 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -0.993 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: -52332.187 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -51983.445358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51983.445358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.618669 (E_RNA) where: Base-Base interactions energy: -63.768 where: short stacking energy: -31.562 Base-Backbone interact. energy: -0.002 local terms energy: -34.848346 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: -51884.827 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -52282.190188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52282.190188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.701620 (E_RNA) where: Base-Base interactions energy: -71.950 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.001 local terms energy: -27.750811 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -1.097 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: -52182.489 (S_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: 347 Temperature: 1.200000 Total energy: -52069.820496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52069.820496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.872624 (E_RNA) where: Base-Base interactions energy: -60.542 where: short stacking energy: -21.512 Base-Backbone interact. energy: -0.009 local terms energy: -24.321775 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -0.437 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: -51984.948 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -52390.647967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52390.647967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.534750 (E_RNA) where: Base-Base interactions energy: -57.469 where: short stacking energy: -22.920 Base-Backbone interact. energy: -0.221 local terms energy: -30.844759 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: -52302.113 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -52242.341291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52242.341291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.842698 (E_RNA) where: Base-Base interactions energy: -59.548 where: short stacking energy: -23.454 Base-Backbone interact. energy: -0.013 local terms energy: -28.281910 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -1.817 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: -52154.499 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -52317.130822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52317.130822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.696220 (E_RNA) where: Base-Base interactions energy: -67.064 where: short stacking energy: -20.615 Base-Backbone interact. energy: 1.561 local terms energy: -16.192958 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -4.298 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: 2.053 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: -52235.435 (S_DIST_RNA) chem. 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: -52628.145523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52628.145523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.583062 (E_RNA) where: Base-Base interactions energy: -76.264 where: short stacking energy: -25.853 Base-Backbone interact. energy: -0.029 local terms energy: -28.290518 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: -52523.562 (S_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: 348 Temperature: 0.950000 Total energy: -52241.840988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52241.840988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.226370 (E_RNA) where: Base-Base interactions energy: -66.892 where: short stacking energy: -32.770 Base-Backbone interact. energy: -0.000 local terms energy: -32.334260 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -8.617 Dist. restrs. and SS energy: -52142.615 (S_DIST_RNA) chem. 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: -52553.943770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52553.943770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.606021 (E_RNA) where: Base-Base interactions energy: -64.973 where: short stacking energy: -33.027 Base-Backbone interact. energy: -0.000 local terms energy: -36.632879 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -8.672 Dist. restrs. and SS energy: -52452.338 (S_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: 348 Temperature: 1.050000 Total energy: -52134.498576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52134.498576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.024068 (E_RNA) where: Base-Base interactions energy: -70.183 where: short stacking energy: -29.093 Base-Backbone interact. energy: -0.003 local terms energy: -27.838170 where: bonds (distance) C4'-P energy: -2.177 bonds (distance) P-C4' energy: -5.672 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: -52036.475 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -52403.050430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52403.050430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.141576 (E_RNA) where: Base-Base interactions energy: -62.614 where: short stacking energy: -26.730 Base-Backbone interact. energy: -0.907 local terms energy: -33.620440 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -7.972 Dist. restrs. and SS energy: -52305.909 (S_DIST_RNA) chem. 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: -52113.803936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52113.803936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.160704 (E_RNA) where: Base-Base interactions energy: -70.416 where: short stacking energy: -34.823 Base-Backbone interact. energy: -0.000 local terms energy: -33.744449 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: -52009.643 (S_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: 348 Temperature: 1.200000 Total energy: -52577.930481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52577.930481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.522335 (E_RNA) where: Base-Base interactions energy: -60.846 where: short stacking energy: -29.520 Base-Backbone interact. energy: -0.090 local terms energy: -30.586112 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: -52486.408 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -52213.556634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52213.556634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.871851 (E_RNA) where: Base-Base interactions energy: -63.440 where: short stacking energy: -16.852 Base-Backbone interact. energy: -0.010 local terms energy: -25.421935 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: -52124.685 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -52781.368582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52781.368582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.656781 (E_RNA) where: Base-Base interactions energy: -55.209 where: short stacking energy: -25.782 Base-Backbone interact. energy: -0.024 local terms energy: -27.424259 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: -52698.712 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -52435.016370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52435.016370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.169764 (E_RNA) where: Base-Base interactions energy: -60.889 where: short stacking energy: -27.787 Base-Backbone interact. energy: -0.271 local terms energy: -33.010711 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -7.527 Dist. restrs. and SS energy: -52340.847 (S_DIST_RNA) chem. 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: -52701.089388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52701.089388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.065566 (E_RNA) where: Base-Base interactions energy: -66.247 where: short stacking energy: -25.929 Base-Backbone interact. energy: -0.000 local terms energy: -30.818386 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: -52604.024 (S_DIST_RNA) chem. 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: -52665.117439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52665.117439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.387211 (E_RNA) where: Base-Base interactions energy: -69.604 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.002 local terms energy: -29.780320 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: -52565.730 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -52348.622833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52348.622833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.234516 (E_RNA) where: Base-Base interactions energy: -62.737 where: short stacking energy: -22.912 Base-Backbone interact. energy: -0.002 local terms energy: -32.495720 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -7.389 Dist. restrs. and SS energy: -52253.388 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -52543.708908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52543.708908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.948808 (E_RNA) where: Base-Base interactions energy: -57.702 where: short stacking energy: -24.571 Base-Backbone interact. energy: -0.185 local terms energy: -24.061910 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -1.696 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: -52461.760 (S_DIST_RNA) chem. 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: -52266.805437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52266.805437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.440612 (E_RNA) where: Base-Base interactions energy: -64.108 where: short stacking energy: -26.373 Base-Backbone interact. energy: -0.073 local terms energy: -31.260191 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -5.218 Dist. restrs. and SS energy: -52171.365 (S_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: 349 Temperature: 1.150000 Total energy: -52717.205049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52717.205049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.850762 (E_RNA) where: Base-Base interactions energy: -65.139 where: short stacking energy: -35.539 Base-Backbone interact. energy: -0.358 local terms energy: -31.353786 where: bonds (distance) C4'-P energy: -7.290 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -7.838 Dist. restrs. and SS energy: -52620.354 (S_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: 349 Temperature: 1.200000 Total energy: -52250.420948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52250.420948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.746622 (E_RNA) where: Base-Base interactions energy: -59.886 where: short stacking energy: -29.279 Base-Backbone interact. energy: -0.002 local terms energy: -26.858353 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -0.354 tors. eta vs tors. theta energy: -8.175 Dist. restrs. and SS energy: -52163.674 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -53114.811917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53114.811917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.723405 (E_RNA) where: Base-Base interactions energy: -65.687 where: short stacking energy: -31.312 Base-Backbone interact. energy: -0.000 local terms energy: -30.035986 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: -53019.089 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -52378.924477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52378.924477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.658971 (E_RNA) where: Base-Base interactions energy: -51.473 where: short stacking energy: -23.681 Base-Backbone interact. energy: 0.185 local terms energy: -22.370498 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -2.614 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: -52305.266 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -52648.191169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52648.191169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.723829 (E_RNA) where: Base-Base interactions energy: -58.495 where: short stacking energy: -23.561 Base-Backbone interact. energy: -0.008 local terms energy: -25.220614 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: -52564.467 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -52746.014864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52746.014864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.116894 (E_RNA) where: Base-Base interactions energy: -64.678 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.023 local terms energy: -27.415545 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: -52653.898 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -52797.612121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52797.612121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.557551 (E_RNA) where: Base-Base interactions energy: -71.255 where: short stacking energy: -39.053 Base-Backbone interact. energy: -1.461 local terms energy: -30.841730 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -1.362 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: -52694.055 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -52686.359020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52686.359020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.045938 (E_RNA) where: Base-Base interactions energy: -69.714 where: short stacking energy: -30.887 Base-Backbone interact. energy: -0.908 local terms energy: -36.423972 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: -52579.313 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -52472.184121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52472.184121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.159998 (E_RNA) where: Base-Base interactions energy: -63.431 where: short stacking energy: -31.757 Base-Backbone interact. energy: -0.010 local terms energy: -31.719338 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.380 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -7.838 Dist. restrs. and SS energy: -52377.024 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -52862.333501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52862.333501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.374851 (E_RNA) where: Base-Base interactions energy: -58.096 where: short stacking energy: -20.992 Base-Backbone interact. energy: -1.573 local terms energy: -32.705975 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: -52769.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -52385.116803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52385.116803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.246290 (E_RNA) where: Base-Base interactions energy: -60.509 where: short stacking energy: -25.907 Base-Backbone interact. energy: -1.626 local terms energy: -28.110849 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: -52294.871 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -53248.434591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53248.434591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.905200 (E_RNA) where: Base-Base interactions energy: -68.454 where: short stacking energy: -25.476 Base-Backbone interact. energy: -0.001 local terms energy: -23.450064 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -1.591 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -1.947 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: -53156.529 (S_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: 350 Temperature: 1.250000 Total energy: -52397.512020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52397.512020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.732346 (E_RNA) where: Base-Base interactions energy: -63.225 where: short stacking energy: -35.432 Base-Backbone interact. energy: -0.001 local terms energy: -32.506828 where: bonds (distance) C4'-P energy: -6.849 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -7.366 Dist. restrs. and SS energy: -52301.780 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -52913.116046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52913.116046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.758723 (E_RNA) where: Base-Base interactions energy: -58.195 where: short stacking energy: -21.394 Base-Backbone interact. energy: -0.019 local terms energy: -24.544444 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: -52830.357 (S_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: 350 Temperature: 1.350000 Total energy: -52568.711132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52568.711132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.201173 (E_RNA) where: Base-Base interactions energy: -67.231 where: short stacking energy: -26.660 Base-Backbone interact. energy: 0.125 local terms energy: -26.095423 where: bonds (distance) C4'-P energy: -2.252 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: -52475.510 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -52835.841066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52835.841066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.010159 (E_RNA) where: Base-Base interactions energy: -73.380 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.908 local terms energy: -28.722484 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: -52732.831 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -52905.541018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52905.541018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.587782 (E_RNA) where: Base-Base interactions energy: -68.561 where: short stacking energy: -32.925 Base-Backbone interact. energy: -0.000 local terms energy: -35.026195 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -9.028 Dist. restrs. and SS energy: -52801.953 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -52778.848234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52778.848234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.740600 (E_RNA) where: Base-Base interactions energy: -61.405 where: short stacking energy: -25.686 Base-Backbone interact. energy: -0.003 local terms energy: -32.332860 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: -52685.108 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -52980.786414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52980.786414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.858812 (E_RNA) where: Base-Base interactions energy: -58.298 where: short stacking energy: -25.428 Base-Backbone interact. energy: -0.010 local terms energy: -32.550038 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -6.418 Dist. restrs. and SS energy: -52889.928 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -52581.683068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52581.683068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.499990 (E_RNA) where: Base-Base interactions energy: -64.455 where: short stacking energy: -25.739 Base-Backbone interact. energy: -0.003 local terms energy: -32.041651 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: -52485.183 (S_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: 351 Temperature: 1.150000 Total energy: -53396.853776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53396.853776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.481170 (E_RNA) where: Base-Base interactions energy: -64.768 where: short stacking energy: -34.846 Base-Backbone interact. energy: -0.140 local terms energy: -34.572456 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: -53297.373 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -52527.482414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52527.482414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.093438 (E_RNA) where: Base-Base interactions energy: -61.390 where: short stacking energy: -34.184 Base-Backbone interact. energy: -0.002 local terms energy: -35.701780 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -9.621 Dist. restrs. and SS energy: -52430.389 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -53332.756666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53332.756666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.020492 (E_RNA) where: Base-Base interactions energy: -66.242 where: short stacking energy: -22.619 Base-Backbone interact. energy: -0.019 local terms energy: -21.759418 where: bonds (distance) C4'-P energy: -2.695 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -0.956 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: -53244.736 (S_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: 351 Temperature: 1.300000 Total energy: -52616.665038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52616.665038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.380195 (E_RNA) where: Base-Base interactions energy: -46.222 where: short stacking energy: -13.901 Base-Backbone interact. energy: 0.487 local terms energy: -25.645263 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: -52545.285 (S_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: 351 Temperature: 1.350000 Total energy: -52732.868689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52732.868689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.789641 (E_RNA) where: Base-Base interactions energy: -61.392 where: short stacking energy: -27.629 Base-Backbone interact. energy: -0.146 local terms energy: -26.251913 where: bonds (distance) C4'-P energy: -5.407 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: -52645.079 (S_DIST_RNA) chem. 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: -53004.229837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53004.229837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.049620 (E_RNA) where: Base-Base interactions energy: -70.101 where: short stacking energy: -27.541 Base-Backbone interact. energy: -0.239 local terms energy: -35.709595 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -7.295 Dist. restrs. and SS energy: -52898.180 (S_DIST_RNA) chem. 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: -52920.892112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52920.892112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.876296 (E_RNA) where: Base-Base interactions energy: -61.201 where: short stacking energy: -32.103 Base-Backbone interact. energy: -0.844 local terms energy: -37.831372 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -9.760 Dist. restrs. and SS energy: -52821.016 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -53098.410516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53098.410516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.696393 (E_RNA) where: Base-Base interactions energy: -65.082 where: short stacking energy: -24.948 Base-Backbone interact. energy: -0.216 local terms energy: -28.397964 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -4.963 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -2.472 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: -53004.714 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -52909.965255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52909.965255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.946867 (E_RNA) where: Base-Base interactions energy: -68.530 where: short stacking energy: -36.270 Base-Backbone interact. energy: -0.000 local terms energy: -35.416743 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -7.467 Dist. restrs. and SS energy: -52806.018 (S_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: 352 Temperature: 1.100000 Total energy: -53508.547571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53508.547571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.603580 (E_RNA) where: Base-Base interactions energy: -59.398 where: short stacking energy: -29.560 Base-Backbone interact. energy: -0.003 local terms energy: -34.202564 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: -53414.944 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -52724.407918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52724.407918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.897939 (E_RNA) where: Base-Base interactions energy: -61.566 where: short stacking energy: -22.396 Base-Backbone interact. energy: -0.026 local terms energy: -31.305964 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: -52631.510 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -53628.691613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53628.691613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.874549 (E_RNA) where: Base-Base interactions energy: -51.692 where: short stacking energy: -22.735 Base-Backbone interact. energy: 0.503 local terms energy: -28.686148 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: -53548.817 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -52667.735288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52667.735288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.121549 (E_RNA) where: Base-Base interactions energy: -58.900 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.000 local terms energy: -31.221268 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -4.632 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -6.549 Dist. restrs. and SS energy: -52577.614 (S_DIST_RNA) chem. 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: -52890.854630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52890.854630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.803936 (E_RNA) where: Base-Base interactions energy: -62.734 where: short stacking energy: -26.389 Base-Backbone interact. energy: -0.623 local terms energy: -32.446543 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: -52795.051 (S_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: 352 Temperature: 1.350000 Total energy: -52849.153248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52849.153248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.356125 (E_RNA) where: Base-Base interactions energy: -56.641 where: short stacking energy: -25.742 Base-Backbone interact. energy: -0.014 local terms energy: -30.701878 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: -52761.797 (S_DIST_RNA) chem. 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: -53075.730867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53075.730867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.926789 (E_RNA) where: Base-Base interactions energy: -64.233 where: short stacking energy: -27.445 Base-Backbone interact. energy: -1.638 local terms energy: -34.055232 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: -52975.804 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -53221.617212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53221.617212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.397389 (E_RNA) where: Base-Base interactions energy: -71.084 where: short stacking energy: -35.249 Base-Backbone interact. energy: -0.000 local terms energy: -37.313405 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -9.314 Dist. restrs. and SS energy: -53113.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -53045.138374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53045.138374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.785267 (E_RNA) where: Base-Base interactions energy: -68.311 where: short stacking energy: -26.221 Base-Backbone interact. energy: -0.001 local terms energy: -31.472938 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: -52945.353 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -53615.690689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53615.690689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.448356 (E_RNA) where: Base-Base interactions energy: -61.847 where: short stacking energy: -28.244 Base-Backbone interact. energy: -1.463 local terms energy: -35.138401 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -6.939 Dist. restrs. and SS energy: -53517.242 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -53017.824930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53017.824930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.348023 (E_RNA) where: Base-Base interactions energy: -66.404 where: short stacking energy: -28.123 Base-Backbone interact. energy: -0.002 local terms energy: -32.942312 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: -52918.477 (S_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: 353 Temperature: 1.150000 Total energy: -53801.026416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53801.026416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.576704 (E_RNA) where: Base-Base interactions energy: -56.031 where: short stacking energy: -26.026 Base-Backbone interact. energy: -0.259 local terms energy: -25.286874 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -6.017 Dist. restrs. and SS energy: -53719.450 (S_DIST_RNA) chem. 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: -52864.004856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52864.004856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.896746 (E_RNA) where: Base-Base interactions energy: -65.419 where: short stacking energy: -33.620 Base-Backbone interact. energy: -0.001 local terms energy: -31.477003 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: -52767.108 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -53042.410081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53042.410081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.871085 (E_RNA) where: Base-Base interactions energy: -64.005 where: short stacking energy: -22.742 Base-Backbone interact. energy: 2.395 local terms energy: -26.260626 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -1.464 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: -52954.539 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -52829.220461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52829.220461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.905023 (E_RNA) where: Base-Base interactions energy: -61.384 where: short stacking energy: -29.312 Base-Backbone interact. energy: -0.001 local terms energy: -24.520781 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: 0.462 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: -52743.315 (S_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: 353 Temperature: 1.350000 Total energy: -53011.914934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53011.914934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.896977 (E_RNA) where: Base-Base interactions energy: -58.124 where: short stacking energy: -29.986 Base-Backbone interact. energy: -0.000 local terms energy: -28.772465 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -3.640 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: -52925.018 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -53307.026795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53307.026795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.712597 (E_RNA) where: Base-Base interactions energy: -60.004 where: short stacking energy: -23.100 Base-Backbone interact. energy: -0.866 local terms energy: -37.842189 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -8.161 Dist. restrs. and SS energy: -53208.314 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -53198.495669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53198.495669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.639403 (E_RNA) where: Base-Base interactions energy: -76.933 where: short stacking energy: -37.198 Base-Backbone interact. energy: -0.000 local terms energy: -31.706457 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: -53089.856 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -53704.315275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53704.315275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.501838 (E_RNA) where: Base-Base interactions energy: -60.946 where: short stacking energy: -26.512 Base-Backbone interact. energy: -0.001 local terms energy: -32.554788 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -9.246 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: -53610.813 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -53141.649910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53141.649910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.769240 (E_RNA) where: Base-Base interactions energy: -66.214 where: short stacking energy: -30.076 Base-Backbone interact. energy: -0.005 local terms energy: -29.550352 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: -53045.881 (S_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: 354 Temperature: 1.100000 Total energy: -53926.317752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53926.317752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.801692 (E_RNA) where: Base-Base interactions energy: -76.479 where: short stacking energy: -26.423 Base-Backbone interact. energy: -0.001 local terms energy: -29.320977 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: -53820.516 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -53159.278030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53159.278030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.943463 (E_RNA) where: Base-Base interactions energy: -61.007 where: short stacking energy: -27.311 Base-Backbone interact. energy: -0.479 local terms energy: -35.457256 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: -53062.335 (S_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: 354 Temperature: 1.200000 Total energy: -53194.182152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53194.182152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.209410 (E_RNA) where: Base-Base interactions energy: -64.756 where: short stacking energy: -25.789 Base-Backbone interact. energy: -0.001 local terms energy: -30.452502 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -0.778 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: -53098.973 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -53026.719253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53026.719253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.585801 (E_RNA) where: Base-Base interactions energy: -64.354 where: short stacking energy: -32.468 Base-Backbone interact. energy: -0.000 local terms energy: -30.232073 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: -52932.133 (S_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: 354 Temperature: 1.300000 Total energy: -53189.202887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53189.202887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.291622 (E_RNA) where: Base-Base interactions energy: -64.960 where: short stacking energy: -26.721 Base-Backbone interact. energy: -0.479 local terms energy: -23.852651 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -4.462 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: -53099.911 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -52993.043187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52993.043187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.079914 (E_RNA) where: Base-Base interactions energy: -53.669 where: short stacking energy: -26.408 Base-Backbone interact. energy: -0.001 local terms energy: -30.410540 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -4.151 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: -52908.963 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -53425.636395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53425.636395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.550155 (E_RNA) where: Base-Base interactions energy: -70.374 where: short stacking energy: -29.366 Base-Backbone interact. energy: -0.005 local terms energy: -30.170776 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: -53325.086 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -53808.937645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53808.937645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.233851 (E_RNA) where: Base-Base interactions energy: -63.737 where: short stacking energy: -24.903 Base-Backbone interact. energy: -0.004 local terms energy: -30.492711 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: -53714.704 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -53299.127795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53299.127795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.232227 (E_RNA) where: Base-Base interactions energy: -63.221 where: short stacking energy: -25.722 Base-Backbone interact. energy: -0.010 local terms energy: -31.000614 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -6.304 Dist. restrs. and SS energy: -53204.896 (S_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: 355 Temperature: 1.050000 Total energy: -54048.245243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54048.245243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.624477 (E_RNA) where: Base-Base interactions energy: -60.855 where: short stacking energy: -22.796 Base-Backbone interact. energy: -1.169 local terms energy: -27.600079 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: -53958.621 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -53273.874658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53273.874658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.109756 (E_RNA) where: Base-Base interactions energy: -64.173 where: short stacking energy: -34.772 Base-Backbone interact. energy: -0.001 local terms energy: -34.936469 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: -53174.765 (S_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: 355 Temperature: 1.150000 Total energy: -53327.098311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53327.098311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.281934 (E_RNA) where: Base-Base interactions energy: -62.322 where: short stacking energy: -33.132 Base-Backbone interact. energy: -1.678 local terms energy: -33.281674 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -9.222 Dist. restrs. and SS energy: -53229.816 (S_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: 355 Temperature: 1.200000 Total energy: -53311.316984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53311.316984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.665570 (E_RNA) where: Base-Base interactions energy: -59.515 where: short stacking energy: -30.706 Base-Backbone interact. energy: -0.123 local terms energy: -32.027352 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: -53219.651 (S_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: 355 Temperature: 1.250000 Total energy: -53334.655132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53334.655132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.491021 (E_RNA) where: Base-Base interactions energy: -61.605 where: short stacking energy: -21.975 Base-Backbone interact. energy: -0.342 local terms energy: -25.544173 where: bonds (distance) C4'-P energy: -6.827 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -1.426 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: -53247.164 (S_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: 355 Temperature: 1.300000 Total energy: -53215.453138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53215.453138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.229933 (E_RNA) where: Base-Base interactions energy: -58.911 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.000 local terms energy: -28.318100 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: -53128.223 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -53185.428095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53185.428095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.796997 (E_RNA) where: Base-Base interactions energy: -64.967 where: short stacking energy: -27.892 Base-Backbone interact. energy: -0.017 local terms energy: -30.812684 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: -53089.631 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -53911.066767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53911.066767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.708113 (E_RNA) where: Base-Base interactions energy: -69.086 where: short stacking energy: -27.995 Base-Backbone interact. energy: -0.005 local terms energy: -33.617629 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -6.811 Dist. restrs. and SS energy: -53808.359 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -53521.704628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53521.704628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.006057 (E_RNA) where: Base-Base interactions energy: -61.579 where: short stacking energy: -29.152 Base-Backbone interact. energy: -0.562 local terms energy: -35.864502 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: -53423.699 (S_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: 356 Temperature: 1.000000 Total energy: -54170.551777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54170.551777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.330571 (E_RNA) where: Base-Base interactions energy: -59.746 where: short stacking energy: -31.835 Base-Backbone interact. energy: -0.587 local terms energy: -35.998154 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: -54074.221 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -53417.250532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53417.250532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.773545 (E_RNA) where: Base-Base interactions energy: -68.643 where: short stacking energy: -28.199 Base-Backbone interact. energy: -0.546 local terms energy: -29.585352 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -7.740 Dist. restrs. and SS energy: -53318.477 (S_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: 356 Temperature: 1.100000 Total energy: -53458.429695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53458.429695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.595138 (E_RNA) where: Base-Base interactions energy: -64.923 where: short stacking energy: -21.112 Base-Backbone interact. energy: -0.001 local terms energy: -31.671417 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: -53361.835 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -53399.458098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53399.458098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.974824 (E_RNA) where: Base-Base interactions energy: -64.314 where: short stacking energy: -21.288 Base-Backbone interact. energy: -0.001 local terms energy: -26.660299 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -1.354 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: -53308.483 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -53452.465550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53452.465550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.514740 (E_RNA) where: Base-Base interactions energy: -63.016 where: short stacking energy: -20.548 Base-Backbone interact. energy: -0.004 local terms energy: -27.494722 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -3.899 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: -53361.951 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -53463.982106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53463.982106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.681337 (E_RNA) where: Base-Base interactions energy: -59.065 where: short stacking energy: -29.313 Base-Backbone interact. energy: -0.002 local terms energy: -34.614357 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -8.223 Dist. restrs. and SS energy: -53370.301 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -53369.893008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53369.893008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.251590 (E_RNA) where: Base-Base interactions energy: -61.630 where: short stacking energy: -24.800 Base-Backbone interact. energy: -0.043 local terms energy: -21.578597 where: bonds (distance) C4'-P energy: 1.110 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: -53286.641 (S_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: 356 Temperature: 1.350000 Total energy: -53423.293039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53423.293039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.408713 (E_RNA) where: Base-Base interactions energy: -59.095 where: short stacking energy: -19.593 Base-Backbone interact. energy: -0.006 local terms energy: -26.307794 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -4.855 Dist. restrs. and SS energy: -53337.884 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -53995.057549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53995.057549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.218398 (E_RNA) where: Base-Base interactions energy: -65.343 where: short stacking energy: -31.716 Base-Backbone interact. energy: -0.611 local terms energy: -36.264602 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -9.188 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -9.195 Dist. restrs. and SS energy: -53892.839 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -54290.065667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54290.065667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.289349 (E_RNA) where: Base-Base interactions energy: -68.599 where: short stacking energy: -35.881 Base-Backbone interact. energy: -0.019 local terms energy: -32.671299 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -8.000 Dist. restrs. and SS energy: -54188.776 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -53623.680488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53623.680488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.129751 (E_RNA) where: Base-Base interactions energy: -65.647 where: short stacking energy: -31.870 Base-Backbone interact. energy: -0.001 local terms energy: -35.482336 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -7.882 Dist. restrs. and SS energy: -53522.551 (S_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: 357 Temperature: 1.050000 Total energy: -53599.888519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53599.888519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.870103 (E_RNA) where: Base-Base interactions energy: -61.467 where: short stacking energy: -21.569 Base-Backbone interact. energy: -0.012 local terms energy: -27.391597 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: -53511.018 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -53528.968979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53528.968979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.572647 (E_RNA) where: Base-Base interactions energy: -61.796 where: short stacking energy: -28.509 Base-Backbone interact. energy: -0.003 local terms energy: -26.773767 where: bonds (distance) C4'-P energy: -5.588 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -2.859 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: -53440.396 (S_DIST_RNA) chem. 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: -53575.615523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53575.615523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.742547 (E_RNA) where: Base-Base interactions energy: -65.216 where: short stacking energy: -32.864 Base-Backbone interact. energy: -0.006 local terms energy: -30.520946 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: -53479.873 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -53531.323094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53531.323094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.712260 (E_RNA) where: Base-Base interactions energy: -63.481 where: short stacking energy: -34.026 Base-Backbone interact. energy: -0.000 local terms energy: -36.230649 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -9.212 Dist. restrs. and SS energy: -53431.611 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -53599.629791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53599.629791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.539227 (E_RNA) where: Base-Base interactions energy: -61.095 where: short stacking energy: -24.571 Base-Backbone interact. energy: -0.000 local terms energy: -28.444280 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: -53510.091 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -53531.409209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53531.409209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.659873 (E_RNA) where: Base-Base interactions energy: -64.219 where: short stacking energy: -30.380 Base-Backbone interact. energy: 1.350 local terms energy: -32.790229 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -5.823 flat angles C4'-P-C4' energy: -9.109 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: -53435.749 (S_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: 357 Temperature: 1.350000 Total energy: -53600.397272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53600.397272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.075491 (E_RNA) where: Base-Base interactions energy: -66.240 where: short stacking energy: -27.616 Base-Backbone interact. energy: -0.041 local terms energy: -31.794728 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: -53502.322 (S_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: 358 Temperature: 0.900000 Total energy: -54406.490791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54406.490791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.066890 (E_RNA) where: Base-Base interactions energy: -67.702 where: short stacking energy: -33.189 Base-Backbone interact. energy: -0.001 local terms energy: -31.364174 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -8.140 Dist. restrs. and SS energy: -54307.424 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -54082.339270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54082.339270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.417588 (E_RNA) where: Base-Base interactions energy: -66.161 where: short stacking energy: -25.778 Base-Backbone interact. energy: 0.472 local terms energy: -33.728690 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: -8.040 Dist. restrs. and SS energy: -53982.922 (S_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: 358 Temperature: 1.000000 Total energy: -53846.879344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53846.879344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.762860 (E_RNA) where: Base-Base interactions energy: -60.802 where: short stacking energy: -25.276 Base-Backbone interact. energy: 0.111 local terms energy: -26.071632 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: -53760.116 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -53730.863429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53730.863429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.807729 (E_RNA) where: Base-Base interactions energy: -65.641 where: short stacking energy: -26.693 Base-Backbone interact. energy: 0.486 local terms energy: -28.652141 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: -53637.056 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -53704.997248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53704.997248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.477455 (E_RNA) where: Base-Base interactions energy: -59.555 where: short stacking energy: -26.838 Base-Backbone interact. energy: -0.000 local terms energy: -31.922197 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -4.374 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: -53613.520 (S_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: 358 Temperature: 1.150000 Total energy: -53649.447047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53649.447047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.389568 (E_RNA) where: Base-Base interactions energy: -57.537 where: short stacking energy: -26.321 Base-Backbone interact. energy: -0.001 local terms energy: -29.852256 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -2.828 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: -53562.057 (S_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: 358 Temperature: 1.200000 Total energy: -53732.672597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53732.672597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.852600 (E_RNA) where: Base-Base interactions energy: -64.120 where: short stacking energy: -30.780 Base-Backbone interact. energy: -0.000 local terms energy: -32.732813 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -6.618 Dist. restrs. and SS energy: -53635.820 (S_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: 358 Temperature: 1.250000 Total energy: -53669.432679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53669.432679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.543856 (E_RNA) where: Base-Base interactions energy: -71.115 where: short stacking energy: -23.395 Base-Backbone interact. energy: 1.202 local terms energy: -28.631233 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -6.303 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: -53570.889 (S_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: 358 Temperature: 1.300000 Total energy: -53748.794993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53748.794993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.337213 (E_RNA) where: Base-Base interactions energy: -58.978 where: short stacking energy: -28.165 Base-Backbone interact. energy: -1.571 local terms energy: -33.788377 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -8.210 Dist. restrs. and SS energy: -53654.458 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -53764.601446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53764.601446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.923986 (E_RNA) where: Base-Base interactions energy: -65.430 where: short stacking energy: -28.387 Base-Backbone interact. energy: -0.405 local terms energy: -24.089017 where: bonds (distance) C4'-P energy: -1.106 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: -53674.677 (S_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: 359 Temperature: 0.900000 Total energy: -54521.684386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54521.684386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.922610 (E_RNA) where: Base-Base interactions energy: -68.265 where: short stacking energy: -35.305 Base-Backbone interact. energy: -0.907 local terms energy: -38.750451 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -8.402 Dist. restrs. and SS energy: -54413.762 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -54170.182561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54170.182561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.274093 (E_RNA) where: Base-Base interactions energy: -65.949 where: short stacking energy: -26.513 Base-Backbone interact. energy: -0.015 local terms energy: -31.310313 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -5.521 Dist. restrs. and SS energy: -54072.908 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -54067.696660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54067.696660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.284629 (E_RNA) where: Base-Base interactions energy: -66.067 where: short stacking energy: -27.583 Base-Backbone interact. energy: -0.039 local terms energy: -22.178465 where: bonds (distance) C4'-P energy: -4.310 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: -53979.412 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -53870.032705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53870.032705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.120231 (E_RNA) where: Base-Base interactions energy: -66.048 where: short stacking energy: -22.084 Base-Backbone interact. energy: -0.001 local terms energy: -30.071597 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: -53773.912 (S_DIST_RNA) chem. 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: -53855.288865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53855.288865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.394060 (E_RNA) where: Base-Base interactions energy: -64.856 where: short stacking energy: -31.335 Base-Backbone interact. energy: -0.001 local terms energy: -34.536945 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -8.100 Dist. restrs. and SS energy: -53755.895 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -53848.961229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53848.961229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.577488 (E_RNA) where: Base-Base interactions energy: -59.074 where: short stacking energy: -33.177 Base-Backbone interact. energy: -0.000 local terms energy: -28.502651 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: -53761.384 (S_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: 359 Temperature: 1.200000 Total energy: -53791.086940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53791.086940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.901478 (E_RNA) where: Base-Base interactions energy: -58.944 where: short stacking energy: -22.840 Base-Backbone interact. energy: -0.596 local terms energy: -24.361992 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: -53707.185 (S_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: 359 Temperature: 1.250000 Total energy: -53967.626885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53967.626885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.845438 (E_RNA) where: Base-Base interactions energy: -61.468 where: short stacking energy: -20.907 Base-Backbone interact. energy: 0.381 local terms energy: -16.759107 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -8.530 flat angles C4'-P-C4' energy: -0.909 flat angles P-C4'-P energy: 0.277 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: -53889.781 (S_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: 359 Temperature: 1.300000 Total energy: -53806.553081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53806.553081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.471429 (E_RNA) where: Base-Base interactions energy: -56.708 where: short stacking energy: -21.207 Base-Backbone interact. energy: -0.690 local terms energy: -27.073746 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: -53722.082 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -53950.106233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53950.106233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.548146 (E_RNA) where: Base-Base interactions energy: -55.320 where: short stacking energy: -26.342 Base-Backbone interact. energy: 1.724 local terms energy: -24.952878 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -6.188 Dist. restrs. and SS energy: -53871.558 (S_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: 360 Temperature: 0.900000 Total energy: -54631.903512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54631.903512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.825479 (E_RNA) where: Base-Base interactions energy: -68.501 where: short stacking energy: -33.099 Base-Backbone interact. energy: -0.000 local terms energy: -34.324020 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.441 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: -54529.078 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -54278.032481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54278.032481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.621008 (E_RNA) where: Base-Base interactions energy: -68.349 where: short stacking energy: -35.746 Base-Backbone interact. energy: -0.000 local terms energy: -35.272136 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -9.021 Dist. restrs. and SS energy: -54174.411 (S_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: 360 Temperature: 1.000000 Total energy: -54261.073788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54261.073788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.758292 (E_RNA) where: Base-Base interactions energy: -65.488 where: short stacking energy: -31.334 Base-Backbone interact. energy: -0.002 local terms energy: -28.268120 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: -54167.315 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -53967.630435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53967.630435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.913078 (E_RNA) where: Base-Base interactions energy: -63.700 where: short stacking energy: -26.165 Base-Backbone interact. energy: -0.004 local terms energy: -28.209007 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: -53875.717 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -53985.800109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53985.800109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.495155 (E_RNA) where: Base-Base interactions energy: -63.292 where: short stacking energy: -30.767 Base-Backbone interact. energy: -0.000 local terms energy: -31.203191 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: -53891.305 (S_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: 360 Temperature: 1.150000 Total energy: -54005.188834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54005.188834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.648914 (E_RNA) where: Base-Base interactions energy: -59.854 where: short stacking energy: -29.420 Base-Backbone interact. energy: 0.206 local terms energy: -26.000980 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -3.455 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: -53919.540 (S_DIST_RNA) chem. 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: -54507.650659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54507.650659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.022401 (E_RNA) where: Base-Base interactions energy: -58.587 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.091 local terms energy: -24.343986 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -1.363 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: -54424.628 (S_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: 360 Temperature: 1.250000 Total energy: -53947.659633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53947.659633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.704852 (E_RNA) where: Base-Base interactions energy: -62.444 where: short stacking energy: -25.976 Base-Backbone interact. energy: 0.083 local terms energy: -25.344474 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: -53859.955 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -54125.313678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54125.313678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.520184 (E_RNA) where: Base-Base interactions energy: -61.188 where: short stacking energy: -20.894 Base-Backbone interact. energy: -0.013 local terms energy: -13.319219 where: bonds (distance) C4'-P energy: -1.730 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -2.205 flat angles P-C4'-P energy: -0.153 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: -54050.793 (S_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: 360 Temperature: 1.350000 Total energy: -54004.015080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54004.015080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.053501 (E_RNA) where: Base-Base interactions energy: -69.784 where: short stacking energy: -31.172 Base-Backbone interact. energy: -0.000 local terms energy: -31.269418 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -0.130 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: -53902.962 (S_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: 361 Temperature: 0.900000 Total energy: -54729.878931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54729.878931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.944427 (E_RNA) where: Base-Base interactions energy: -69.571 where: short stacking energy: -33.157 Base-Backbone interact. energy: -0.001 local terms energy: -29.372940 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: 0.873 tors. eta vs tors. theta energy: -6.890 Dist. restrs. and SS energy: -54630.935 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -54389.115966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54389.115966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.921009 (E_RNA) where: Base-Base interactions energy: -62.634 where: short stacking energy: -27.409 Base-Backbone interact. energy: -0.000 local terms energy: -37.286189 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: -54289.195 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -54385.599283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54385.599283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.288547 (E_RNA) where: Base-Base interactions energy: -69.579 where: short stacking energy: -30.957 Base-Backbone interact. energy: -0.000 local terms energy: -31.709024 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.689 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -8.641 Dist. restrs. and SS energy: -54284.311 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -54116.826079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54116.826079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.965186 (E_RNA) where: Base-Base interactions energy: -62.966 where: short stacking energy: -35.095 Base-Backbone interact. energy: -0.003 local terms energy: -34.995920 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -10.040 Dist. restrs. and SS energy: -54018.861 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -54084.907991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54084.907991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.430519 (E_RNA) where: Base-Base interactions energy: -58.455 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.382 local terms energy: -35.593414 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: -53990.477 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -54684.972652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54684.972652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.454437 (E_RNA) where: Base-Base interactions energy: -60.205 where: short stacking energy: -26.688 Base-Backbone interact. energy: -0.002 local terms energy: -24.247454 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -5.242 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.821 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: -54600.518 (S_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: 361 Temperature: 1.200000 Total energy: -54146.236394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54146.236394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.031379 (E_RNA) where: Base-Base interactions energy: -67.925 where: short stacking energy: -27.145 Base-Backbone interact. energy: -0.001 local terms energy: -29.105361 where: bonds (distance) C4'-P energy: -4.255 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: -54049.205 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -54279.279215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54279.279215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.404634 (E_RNA) where: Base-Base interactions energy: -61.984 where: short stacking energy: -27.908 Base-Backbone interact. energy: -1.002 local terms energy: -32.418426 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.401 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: -54183.875 (S_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: 361 Temperature: 1.300000 Total energy: -54093.392401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54093.392401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.005502 (E_RNA) where: Base-Base interactions energy: -65.227 where: short stacking energy: -26.143 Base-Backbone interact. energy: -0.912 local terms energy: -31.865836 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: -53995.387 (S_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: 361 Temperature: 1.350000 Total energy: -54185.904965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54185.904965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.906209 (E_RNA) where: Base-Base interactions energy: -55.676 where: short stacking energy: -26.536 Base-Backbone interact. energy: 0.070 local terms energy: -23.300548 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -0.559 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: -54106.999 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -54823.219656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54823.219656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.190426 (E_RNA) where: Base-Base interactions energy: -68.674 where: short stacking energy: -28.633 Base-Backbone interact. energy: -0.002 local terms energy: -29.514525 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: -54725.029 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -54500.701960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54500.701960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.581478 (E_RNA) where: Base-Base interactions energy: -64.289 where: short stacking energy: -29.136 Base-Backbone interact. energy: -0.234 local terms energy: -35.058587 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -8.064 Dist. restrs. and SS energy: -54401.120 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -54492.673865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54492.673865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.797901 (E_RNA) where: Base-Base interactions energy: -64.779 where: short stacking energy: -27.466 Base-Backbone interact. energy: -0.563 local terms energy: -33.455860 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: -54393.876 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -54268.144580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54268.144580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.855371 (E_RNA) where: Base-Base interactions energy: -69.998 where: short stacking energy: -24.446 Base-Backbone interact. energy: -0.016 local terms energy: -31.841112 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: -54166.289 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -54821.424012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54821.424012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.096400 (E_RNA) where: Base-Base interactions energy: -60.547 where: short stacking energy: -27.206 Base-Backbone interact. energy: -0.964 local terms energy: -29.585668 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.137 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: -54730.328 (S_DIST_RNA) chem. 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: -54234.619501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54234.619501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.672995 (E_RNA) where: Base-Base interactions energy: -62.677 where: short stacking energy: -22.900 Base-Backbone interact. energy: -0.851 local terms energy: -29.144588 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: -54141.947 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -54418.952267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54418.952267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.722812 (E_RNA) where: Base-Base interactions energy: -59.992 where: short stacking energy: -26.757 Base-Backbone interact. energy: -0.003 local terms energy: -29.727158 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -5.639 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -2.370 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: -54329.229 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -54301.088782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54301.088782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.932699 (E_RNA) where: Base-Base interactions energy: -67.407 where: short stacking energy: -33.009 Base-Backbone interact. energy: -0.000 local terms energy: -28.525598 where: bonds (distance) C4'-P energy: -2.546 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: -54205.156 (S_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: 362 Temperature: 1.300000 Total energy: -54335.798373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54335.798373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.172686 (E_RNA) where: Base-Base interactions energy: -51.230 where: short stacking energy: -21.025 Base-Backbone interact. energy: -0.055 local terms energy: -28.887979 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.190 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: -54255.626 (S_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: 362 Temperature: 1.350000 Total energy: -54251.248970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54251.248970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.545618 (E_RNA) where: Base-Base interactions energy: -52.190 where: short stacking energy: -27.824 Base-Backbone interact. energy: -0.025 local terms energy: -32.330753 where: bonds (distance) C4'-P energy: -4.384 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: -54166.703 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -54928.553154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54928.553154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.035563 (E_RNA) where: Base-Base interactions energy: -69.686 where: short stacking energy: -34.724 Base-Backbone interact. energy: -0.001 local terms energy: -34.348976 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -8.609 Dist. restrs. and SS energy: -54824.518 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -54592.342343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54592.342343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.823163 (E_RNA) where: Base-Base interactions energy: -62.117 where: short stacking energy: -31.145 Base-Backbone interact. energy: -0.612 local terms energy: -32.094298 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -7.513 Dist. restrs. and SS energy: -54497.519 (S_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: 363 Temperature: 1.000000 Total energy: -54603.190319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54603.190319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.838951 (E_RNA) where: Base-Base interactions energy: -64.441 where: short stacking energy: -33.816 Base-Backbone interact. energy: -0.000 local terms energy: -35.397425 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -9.594 Dist. restrs. and SS energy: -54503.351 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -54979.683965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54979.683965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.823483 (E_RNA) where: Base-Base interactions energy: -71.059 where: short stacking energy: -34.930 Base-Backbone interact. energy: -0.000 local terms energy: -35.764283 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -8.313 Dist. restrs. and SS energy: -54872.860 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -54375.025549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54375.025549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.688606 (E_RNA) where: Base-Base interactions energy: -61.764 where: short stacking energy: -22.224 Base-Backbone interact. energy: -0.001 local terms energy: -35.923520 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: -54277.337 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -54588.894606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54588.894606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.238063 (E_RNA) where: Base-Base interactions energy: -61.624 where: short stacking energy: -27.118 Base-Backbone interact. energy: -0.914 local terms energy: -29.699878 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.775 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: -54496.657 (S_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: 363 Temperature: 1.200000 Total energy: -54383.060653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54383.060653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.060870 (E_RNA) where: Base-Base interactions energy: -66.094 where: short stacking energy: -32.993 Base-Backbone interact. energy: -0.001 local terms energy: -31.965663 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.500 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -8.703 Dist. restrs. and SS energy: -54285.000 (S_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: 363 Temperature: 1.250000 Total energy: -54490.830184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54490.830184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.617372 (E_RNA) where: Base-Base interactions energy: -50.907 where: short stacking energy: -22.293 Base-Backbone interact. energy: -0.002 local terms energy: -31.707823 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -5.971 Dist. restrs. and SS energy: -54408.213 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -54455.168716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54455.168716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.955743 (E_RNA) where: Base-Base interactions energy: -65.671 where: short stacking energy: -35.128 Base-Backbone interact. energy: -0.000 local terms energy: -26.284260 where: bonds (distance) C4'-P energy: 2.288 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -8.869 Dist. restrs. and SS energy: -54363.213 (S_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: 363 Temperature: 1.350000 Total energy: -54415.324536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54415.324536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.082615 (E_RNA) where: Base-Base interactions energy: -51.651 where: short stacking energy: -23.673 Base-Backbone interact. energy: -0.042 local terms energy: -21.390041 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: 2.654 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: -54342.242 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -54997.993469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54997.993469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.065724 (E_RNA) where: Base-Base interactions energy: -65.400 where: short stacking energy: -33.388 Base-Backbone interact. energy: -0.003 local terms energy: -32.662852 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.049 flat angles P-C4'-P energy: 0.111 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: -54899.928 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -54683.184866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54683.184866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.541041 (E_RNA) where: Base-Base interactions energy: -65.971 where: short stacking energy: -29.193 Base-Backbone interact. energy: -0.006 local terms energy: -28.563935 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -2.311 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: -54588.644 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -55089.055559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55089.055559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.429994 (E_RNA) where: Base-Base interactions energy: -67.677 where: short stacking energy: -30.102 Base-Backbone interact. energy: -0.003 local terms energy: -29.749220 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: -54991.626 (S_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: 364 Temperature: 1.050000 Total energy: -54761.428981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54761.428981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.688011 (E_RNA) where: Base-Base interactions energy: -62.160 where: short stacking energy: -24.490 Base-Backbone interact. energy: -0.005 local terms energy: -28.522532 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.210 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -0.616 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: -54670.741 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -54716.713503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54716.713503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.480265 (E_RNA) where: Base-Base interactions energy: -65.642 where: short stacking energy: -26.742 Base-Backbone interact. energy: -0.001 local terms energy: -33.838061 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: -54617.233 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -54523.444825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54523.444825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.014843 (E_RNA) where: Base-Base interactions energy: -65.413 where: short stacking energy: -27.887 Base-Backbone interact. energy: -0.002 local terms energy: -31.599799 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: -54426.430 (S_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: 364 Temperature: 1.200000 Total energy: -54649.512278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54649.512278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.020126 (E_RNA) where: Base-Base interactions energy: -65.019 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.001 local terms energy: -24.000188 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: -54560.492 (S_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: 364 Temperature: 1.250000 Total energy: -54523.212715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54523.212715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.070442 (E_RNA) where: Base-Base interactions energy: -62.016 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.003 local terms energy: -25.051683 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: 0.865 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: -54436.142 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -54644.067688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54644.067688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.282863 (E_RNA) where: Base-Base interactions energy: -63.512 where: short stacking energy: -29.743 Base-Backbone interact. energy: -1.387 local terms energy: -20.384706 where: bonds (distance) C4'-P energy: -2.355 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -1.220 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: -54558.785 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -54649.855438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54649.855438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.615227 (E_RNA) where: Base-Base interactions energy: -59.442 where: short stacking energy: -15.710 Base-Backbone interact. energy: 0.668 local terms energy: -24.841173 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: -54566.240 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -55065.801104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55065.801104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.379720 (E_RNA) where: Base-Base interactions energy: -64.733 where: short stacking energy: -32.271 Base-Backbone interact. energy: -0.003 local terms energy: -34.643941 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -8.261 Dist. restrs. and SS energy: -54966.421 (S_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: 365 Temperature: 0.950000 Total energy: -55186.310452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55186.310452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.351099 (E_RNA) where: Base-Base interactions energy: -69.509 where: short stacking energy: -28.477 Base-Backbone interact. energy: -0.002 local terms energy: -27.839673 where: bonds (distance) C4'-P energy: -4.048 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: -55088.959 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -54808.648184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54808.648184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.919761 (E_RNA) where: Base-Base interactions energy: -65.490 where: short stacking energy: -26.520 Base-Backbone interact. energy: -0.135 local terms energy: -29.294167 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: -54713.728 (S_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: 365 Temperature: 1.050000 Total energy: -54885.296140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54885.296140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.240180 (E_RNA) where: Base-Base interactions energy: -61.655 where: short stacking energy: -32.748 Base-Backbone interact. energy: -1.013 local terms energy: -30.572317 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: -54792.056 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -54849.548264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54849.548264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.929360 (E_RNA) where: Base-Base interactions energy: -63.539 where: short stacking energy: -19.462 Base-Backbone interact. energy: -0.019 local terms energy: -31.371332 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: -54754.619 (S_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: 365 Temperature: 1.150000 Total energy: -54778.054805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54778.054805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.933743 (E_RNA) where: Base-Base interactions energy: -67.011 where: short stacking energy: -27.646 Base-Backbone interact. energy: -0.028 local terms energy: -26.894089 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: -54684.121 (S_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: 365 Temperature: 1.200000 Total energy: -54640.712699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54640.712699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.532847 (E_RNA) where: Base-Base interactions energy: -68.119 where: short stacking energy: -28.966 Base-Backbone interact. energy: -0.515 local terms energy: -34.899550 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -8.920 Dist. restrs. and SS energy: -54537.180 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -54818.036450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54818.036450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.837722 (E_RNA) where: Base-Base interactions energy: -57.694 where: short stacking energy: -29.650 Base-Backbone interact. energy: -0.001 local terms energy: -36.143535 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: -54724.199 (S_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: 365 Temperature: 1.300000 Total energy: -54639.542596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54639.542596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.884061 (E_RNA) where: Base-Base interactions energy: -63.154 where: short stacking energy: -27.738 Base-Backbone interact. energy: -0.006 local terms energy: -27.724102 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: -54548.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -54796.331586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54796.331586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.334209 (E_RNA) where: Base-Base interactions energy: -48.885 where: short stacking energy: -22.382 Base-Backbone interact. energy: -0.014 local terms energy: -19.434621 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -4.005 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: 2.109 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: -54727.997 (S_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: 366 Temperature: 0.900000 Total energy: -55284.674662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55284.674662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.675395 (E_RNA) where: Base-Base interactions energy: -70.752 where: short stacking energy: -34.675 Base-Backbone interact. energy: -0.000 local terms energy: -36.923166 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -8.946 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: -55176.999 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -55165.175752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55165.175752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.111417 (E_RNA) where: Base-Base interactions energy: -67.922 where: short stacking energy: -36.998 Base-Backbone interact. energy: -0.001 local terms energy: -37.188943 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -9.183 Dist. restrs. and SS energy: -55060.064 (S_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: 366 Temperature: 1.000000 Total energy: -55017.012954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55017.012954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.116774 (E_RNA) where: Base-Base interactions energy: -53.672 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.001 local terms energy: -38.443529 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: -54924.896 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -54935.674273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54935.674273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.638416 (E_RNA) where: Base-Base interactions energy: -62.694 where: short stacking energy: -23.867 Base-Backbone interact. energy: -0.615 local terms energy: -20.329184 where: bonds (distance) C4'-P energy: -2.190 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: -54852.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -54977.970208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54977.970208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.610828 (E_RNA) where: Base-Base interactions energy: -59.113 where: short stacking energy: -26.423 Base-Backbone interact. energy: -0.001 local terms energy: -33.497244 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: -54885.359 (S_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: 366 Temperature: 1.150000 Total energy: -54890.846397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54890.846397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.058549 (E_RNA) where: Base-Base interactions energy: -63.974 where: short stacking energy: -25.850 Base-Backbone interact. energy: -0.008 local terms energy: -31.076669 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -5.762 Dist. restrs. and SS energy: -54795.788 (S_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: 366 Temperature: 1.200000 Total energy: -54960.015118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54960.015118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.450107 (E_RNA) where: Base-Base interactions energy: -61.674 where: short stacking energy: -30.036 Base-Backbone interact. energy: -0.561 local terms energy: -36.214629 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: -54861.565 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -54775.749474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54775.749474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.861956 (E_RNA) where: Base-Base interactions energy: -63.248 where: short stacking energy: -31.056 Base-Backbone interact. energy: -0.511 local terms energy: -31.102849 where: bonds (distance) C4'-P energy: -6.892 bonds (distance) P-C4' energy: -7.081 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -7.861 Dist. restrs. and SS energy: -54680.888 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -54964.597327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54964.597327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.199049 (E_RNA) where: Base-Base interactions energy: -63.595 where: short stacking energy: -27.888 Base-Backbone interact. energy: -0.016 local terms energy: -27.587845 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: 0.219 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: -54873.398 (S_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: 366 Temperature: 1.350000 Total energy: -54814.140701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54814.140701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.412172 (E_RNA) where: Base-Base interactions energy: -62.009 where: short stacking energy: -28.375 Base-Backbone interact. energy: -0.000 local terms energy: -28.403309 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -5.278 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: -54723.729 (S_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: 367 Temperature: 0.900000 Total energy: -55389.355273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55389.355273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.957032 (E_RNA) where: Base-Base interactions energy: -67.229 where: short stacking energy: -33.729 Base-Backbone interact. energy: -0.001 local terms energy: -32.727138 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -6.513 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -8.813 Dist. restrs. and SS energy: -55289.398 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -55255.502493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55255.502493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.467320 (E_RNA) where: Base-Base interactions energy: -61.455 where: short stacking energy: -33.551 Base-Backbone interact. energy: -1.498 local terms energy: -34.514886 where: bonds (distance) C4'-P energy: -6.760 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -8.951 Dist. restrs. and SS energy: -55158.035 (S_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: 367 Temperature: 1.000000 Total energy: -55118.623498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55118.623498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.347894 (E_RNA) where: Base-Base interactions energy: -66.721 where: short stacking energy: -27.970 Base-Backbone interact. energy: -0.001 local terms energy: -25.625777 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.323 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -5.457 Dist. restrs. and SS energy: -55026.276 (S_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: 367 Temperature: 1.050000 Total energy: -55098.357994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55098.357994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.223966 (E_RNA) where: Base-Base interactions energy: -64.864 where: short stacking energy: -36.231 Base-Backbone interact. energy: -0.000 local terms energy: -34.359783 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -0.923 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: -54999.134 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -55084.449288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55084.449288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.239358 (E_RNA) where: Base-Base interactions energy: -68.233 where: short stacking energy: -33.379 Base-Backbone interact. energy: -0.292 local terms energy: -31.714422 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -8.309 Dist. restrs. and SS energy: -54984.210 (S_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: 367 Temperature: 1.150000 Total energy: -55108.343287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55108.343287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.337132 (E_RNA) where: Base-Base interactions energy: -69.110 where: short stacking energy: -35.987 Base-Backbone interact. energy: -0.379 local terms energy: -29.847545 where: bonds (distance) C4'-P energy: -3.217 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: -55009.006 (S_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: 367 Temperature: 1.200000 Total energy: -55022.331028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55022.331028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.874245 (E_RNA) where: Base-Base interactions energy: -55.787 where: short stacking energy: -17.821 Base-Backbone interact. energy: -0.404 local terms energy: -31.683739 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -4.504 Dist. restrs. and SS energy: -54934.457 (S_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: 367 Temperature: 1.250000 Total energy: -55095.940472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55095.940472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.811397 (E_RNA) where: Base-Base interactions energy: -60.474 where: short stacking energy: -24.336 Base-Backbone interact. energy: -0.005 local terms energy: -36.332092 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -7.487 Dist. restrs. and SS energy: -54999.129 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -54929.488038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54929.488038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.766016 (E_RNA) where: Base-Base interactions energy: -49.736 where: short stacking energy: -19.560 Base-Backbone interact. energy: 1.121 local terms energy: -29.150915 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: -54851.722 (S_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: 367 Temperature: 1.350000 Total energy: -54998.187435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54998.187435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.888392 (E_RNA) where: Base-Base interactions energy: -66.992 where: short stacking energy: -19.928 Base-Backbone interact. energy: 0.551 local terms energy: -23.446798 where: bonds (distance) C4'-P energy: -0.344 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: -54908.299 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -55466.328796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55466.328796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.469173 (E_RNA) where: Base-Base interactions energy: -65.383 where: short stacking energy: -22.897 Base-Backbone interact. energy: -0.211 local terms energy: -31.875048 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: -55368.860 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -55336.156987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55336.156987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.742979 (E_RNA) where: Base-Base interactions energy: -62.189 where: short stacking energy: -27.098 Base-Backbone interact. energy: -0.997 local terms energy: -34.556764 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: -55238.414 (S_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: 368 Temperature: 1.000000 Total energy: -55230.798259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55230.798259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.787390 (E_RNA) where: Base-Base interactions energy: -62.284 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.006 local terms energy: -28.497325 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: -55140.011 (S_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: 368 Temperature: 1.050000 Total energy: -55200.746083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55200.746083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.080088 (E_RNA) where: Base-Base interactions energy: -66.341 where: short stacking energy: -35.000 Base-Backbone interact. energy: -0.000 local terms energy: -35.738455 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: -55098.666 (S_DIST_RNA) chem. 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: -55239.615315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55239.615315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.990080 (E_RNA) where: Base-Base interactions energy: -65.036 where: short stacking energy: -27.638 Base-Backbone interact. energy: -0.156 local terms energy: -29.797826 where: bonds (distance) C4'-P energy: -0.621 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -8.455 Dist. restrs. and SS energy: -55144.625 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -55211.130020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55211.130020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.633853 (E_RNA) where: Base-Base interactions energy: -59.402 where: short stacking energy: -24.124 Base-Backbone interact. energy: -0.002 local terms energy: -31.229532 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.822 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: -55120.496 (S_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: 368 Temperature: 1.200000 Total energy: -55254.940824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55254.940824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.888832 (E_RNA) where: Base-Base interactions energy: -63.197 where: short stacking energy: -24.534 Base-Backbone interact. energy: -0.000 local terms energy: -29.691631 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: -55162.052 (S_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: 368 Temperature: 1.250000 Total energy: -55202.157639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55202.157639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.118541 (E_RNA) where: Base-Base interactions energy: -68.165 where: short stacking energy: -23.786 Base-Backbone interact. energy: -0.087 local terms energy: -24.866608 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -3.645 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: 0.962 tors. eta vs tors. theta energy: -7.661 Dist. restrs. and SS energy: -55109.039 (S_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: 368 Temperature: 1.300000 Total energy: -55145.506217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55145.506217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.344613 (E_RNA) where: Base-Base interactions energy: -64.014 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.014 local terms energy: -30.316314 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: -55051.162 (S_DIST_RNA) chem. 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: -55135.640142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55135.640142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.492801 (E_RNA) where: Base-Base interactions energy: -62.664 where: short stacking energy: -25.158 Base-Backbone interact. energy: -0.028 local terms energy: -24.801543 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.965 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -0.805 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: -55048.147 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -55549.805757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55549.805757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.778340 (E_RNA) where: Base-Base interactions energy: -66.763 where: short stacking energy: -30.423 Base-Backbone interact. energy: -0.396 local terms energy: -32.619956 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -1.864 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: -55450.027 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -55444.396227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55444.396227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.793170 (E_RNA) where: Base-Base interactions energy: -66.999 where: short stacking energy: -31.840 Base-Backbone interact. energy: -0.001 local terms energy: -34.792359 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -8.027 Dist. restrs. and SS energy: -55342.603 (S_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: 369 Temperature: 1.000000 Total energy: -55346.437333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55346.437333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.483706 (E_RNA) where: Base-Base interactions energy: -64.182 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.023 local terms energy: -31.278888 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -4.788 Dist. restrs. and SS energy: -55250.954 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -55347.716590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55347.716590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.169907 (E_RNA) where: Base-Base interactions energy: -63.430 where: short stacking energy: -32.470 Base-Backbone interact. energy: -0.001 local terms energy: -30.739119 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -7.172 Dist. restrs. and SS energy: -55253.547 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -55315.835346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55315.835346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.588907 (E_RNA) where: Base-Base interactions energy: -61.090 where: short stacking energy: -24.794 Base-Backbone interact. energy: -0.035 local terms energy: -18.463568 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -3.123 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -0.398 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: -55236.246 (S_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: 369 Temperature: 1.150000 Total energy: -55400.984393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55400.984393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.095130 (E_RNA) where: Base-Base interactions energy: -59.470 where: short stacking energy: -26.301 Base-Backbone interact. energy: -1.246 local terms energy: -26.379424 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.638 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: -55313.889 (S_DIST_RNA) chem. 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: -55351.047438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55351.047438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.727991 (E_RNA) where: Base-Base interactions energy: -69.442 where: short stacking energy: -23.964 Base-Backbone interact. energy: -0.081 local terms energy: -29.205315 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: -55252.319 (S_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: 369 Temperature: 1.250000 Total energy: -55602.987439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55602.987439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.376588 (E_RNA) where: Base-Base interactions energy: -49.562 where: short stacking energy: -19.439 Base-Backbone interact. energy: 0.143 local terms energy: -27.957468 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: -55525.611 (S_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: 369 Temperature: 1.300000 Total energy: -55280.996329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55280.996329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.295585 (E_RNA) where: Base-Base interactions energy: -52.636 where: short stacking energy: -23.424 Base-Backbone interact. energy: -0.087 local terms energy: -26.572255 where: bonds (distance) C4'-P energy: -3.117 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: -55201.701 (S_DIST_RNA) chem. 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: -55308.109527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55308.109527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.928809 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -23.865 Base-Backbone interact. energy: -1.115 local terms energy: -19.781506 where: bonds (distance) C4'-P energy: -2.608 bonds (distance) P-C4' energy: -5.014 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -1.353 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: -55228.181 (S_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: 370 Temperature: 0.900000 Total energy: -55661.585380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55661.585380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.595693 (E_RNA) where: Base-Base interactions energy: -67.663 where: short stacking energy: -35.344 Base-Backbone interact. energy: -0.001 local terms energy: -36.931282 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: -55556.990 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -55547.756080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55547.756080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.507698 (E_RNA) where: Base-Base interactions energy: -66.054 where: short stacking energy: -26.893 Base-Backbone interact. energy: -0.004 local terms energy: -30.449105 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: -55451.248 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -55440.156248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55440.156248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.323384 (E_RNA) where: Base-Base interactions energy: -64.069 where: short stacking energy: -34.248 Base-Backbone interact. energy: -0.867 local terms energy: -36.386576 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -8.124 Dist. restrs. and SS energy: -55338.833 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -55493.735141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55493.735141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.332836 (E_RNA) where: Base-Base interactions energy: -61.383 where: short stacking energy: -26.649 Base-Backbone interact. energy: -0.004 local terms energy: -32.946023 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: -55399.402 (S_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: 370 Temperature: 1.100000 Total energy: -55539.699962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55539.699962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.292593 (E_RNA) where: Base-Base interactions energy: -63.950 where: short stacking energy: -29.825 Base-Backbone interact. energy: -0.000 local terms energy: -33.342280 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: -55442.407 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -55478.843715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55478.843715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.470577 (E_RNA) where: Base-Base interactions energy: -65.356 where: short stacking energy: -27.283 Base-Backbone interact. energy: -0.161 local terms energy: -31.953345 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: -55381.373 (S_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: 370 Temperature: 1.200000 Total energy: -55880.017987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55880.017987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.790782 (E_RNA) where: Base-Base interactions energy: -63.567 where: short stacking energy: -20.160 Base-Backbone interact. energy: -0.005 local terms energy: -33.219345 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -5.748 Dist. restrs. and SS energy: -55783.227 (S_DIST_RNA) chem. 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: -55483.822621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55483.822621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.249879 (E_RNA) where: Base-Base interactions energy: -61.483 where: short stacking energy: -29.554 Base-Backbone interact. energy: -0.695 local terms energy: -33.071559 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: -55388.573 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -55493.428037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55493.428037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.174173 (E_RNA) where: Base-Base interactions energy: -67.715 where: short stacking energy: -35.057 Base-Backbone interact. energy: -0.003 local terms energy: -30.456230 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -8.242 Dist. restrs. and SS energy: -55395.254 (S_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: 370 Temperature: 1.350000 Total energy: -55457.201301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55457.201301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.706498 (E_RNA) where: Base-Base interactions energy: -60.964 where: short stacking energy: -22.375 Base-Backbone interact. energy: -0.002 local terms energy: -21.739951 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: -55374.495 (S_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: 371 Temperature: 0.900000 Total energy: -55776.254885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55776.254885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.571790 (E_RNA) where: Base-Base interactions energy: -69.383 where: short stacking energy: -33.548 Base-Backbone interact. energy: -0.000 local terms energy: -36.189040 where: bonds (distance) C4'-P energy: -7.194 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -9.288 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -7.757 Dist. restrs. and SS energy: -55670.683 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -55647.532430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55647.532430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.860889 (E_RNA) where: Base-Base interactions energy: -62.602 where: short stacking energy: -24.170 Base-Backbone interact. energy: 1.988 local terms energy: -30.246618 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: -55556.672 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -55546.313264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55546.313264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.179459 (E_RNA) where: Base-Base interactions energy: -68.546 where: short stacking energy: -33.876 Base-Backbone interact. energy: -0.004 local terms energy: -31.629330 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -6.967 Dist. restrs. and SS energy: -55446.134 (S_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: 371 Temperature: 1.050000 Total energy: -55650.044740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55650.044740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.672626 (E_RNA) where: Base-Base interactions energy: -62.540 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.355 local terms energy: -31.776752 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: -55555.372 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -55613.126378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55613.126378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.802385 (E_RNA) where: Base-Base interactions energy: -67.999 where: short stacking energy: -28.365 Base-Backbone interact. energy: -0.069 local terms energy: -29.734614 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: -55515.324 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -55971.792404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55971.792404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.441375 (E_RNA) where: Base-Base interactions energy: -68.713 where: short stacking energy: -31.873 Base-Backbone interact. energy: -0.002 local terms energy: -32.726140 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -9.468 Dist. restrs. and SS energy: -55870.351 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -55606.751555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55606.751555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.245127 (E_RNA) where: Base-Base interactions energy: -64.051 where: short stacking energy: -27.840 Base-Backbone interact. energy: -0.000 local terms energy: -24.194434 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -0.732 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: -55518.506 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -55634.691469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55634.691469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.661038 (E_RNA) where: Base-Base interactions energy: -68.963 where: short stacking energy: -26.894 Base-Backbone interact. energy: -0.908 local terms energy: -26.790219 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -1.568 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: -55538.030 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -55628.912901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55628.912901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.054676 (E_RNA) where: Base-Base interactions energy: -49.665 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.001 local terms energy: -23.388071 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -3.974 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -1.129 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: -55555.858 (S_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: 371 Temperature: 1.350000 Total energy: -55645.587796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55645.587796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.668096 (E_RNA) where: Base-Base interactions energy: -51.285 where: short stacking energy: -20.005 Base-Backbone interact. energy: -0.560 local terms energy: -19.822926 where: bonds (distance) C4'-P energy: -2.004 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -1.685 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: -55573.920 (S_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: 372 Temperature: 0.900000 Total energy: -55868.180240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55868.180240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.191887 (E_RNA) where: Base-Base interactions energy: -70.563 where: short stacking energy: -26.403 Base-Backbone interact. energy: -0.000 local terms energy: -32.628119 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: -55764.988 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -55749.479565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55749.479565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.828378 (E_RNA) where: Base-Base interactions energy: -59.636 where: short stacking energy: -27.084 Base-Backbone interact. energy: -1.126 local terms energy: -33.066251 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: -55655.651 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -55745.573806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55745.573806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.780785 (E_RNA) where: Base-Base interactions energy: -67.783 where: short stacking energy: -38.839 Base-Backbone interact. energy: -0.000 local terms energy: -27.997149 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -7.574 Dist. restrs. and SS energy: -55649.793 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -55658.739583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55658.739583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.885246 (E_RNA) where: Base-Base interactions energy: -69.943 where: short stacking energy: -34.083 Base-Backbone interact. energy: -0.000 local terms energy: -34.942274 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -7.548 Dist. restrs. and SS energy: -55553.854 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -56094.274790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56094.274790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.760775 (E_RNA) where: Base-Base interactions energy: -57.725 where: short stacking energy: -30.828 Base-Backbone interact. energy: 1.291 local terms energy: -31.326207 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -6.342 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: -56006.514 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -55744.754706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55744.754706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.215119 (E_RNA) where: Base-Base interactions energy: -58.787 where: short stacking energy: -25.875 Base-Backbone interact. energy: -0.795 local terms energy: -28.633160 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: -55656.540 (S_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: 372 Temperature: 1.200000 Total energy: -55778.177412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55778.177412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.291353 (E_RNA) where: Base-Base interactions energy: -59.525 where: short stacking energy: -26.153 Base-Backbone interact. energy: -0.000 local terms energy: -29.766045 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: -55688.886 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -55819.803481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55819.803481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.979655 (E_RNA) where: Base-Base interactions energy: -54.185 where: short stacking energy: -25.598 Base-Backbone interact. energy: -0.043 local terms energy: -21.751332 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -1.158 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: -55743.824 (S_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: 372 Temperature: 1.300000 Total energy: -55808.894351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55808.894351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.188693 (E_RNA) where: Base-Base interactions energy: -66.480 where: short stacking energy: -22.771 Base-Backbone interact. energy: -0.044 local terms energy: -25.664086 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -6.863 Dist. restrs. and SS energy: -55716.706 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -55820.924496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55820.924496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.441690 (E_RNA) where: Base-Base interactions energy: -62.617 where: short stacking energy: -29.448 Base-Backbone interact. energy: -0.000 local terms energy: -25.824323 where: bonds (distance) C4'-P energy: -3.501 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -0.913 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: -55732.483 (S_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: 373 Temperature: 0.900000 Total energy: -55954.799720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55954.799720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.603615 (E_RNA) where: Base-Base interactions energy: -65.372 where: short stacking energy: -25.105 Base-Backbone interact. energy: -0.002 local terms energy: -36.229227 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -7.009 Dist. restrs. and SS energy: -55853.196 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -55846.568622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55846.568622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.076052 (E_RNA) where: Base-Base interactions energy: -62.326 where: short stacking energy: -24.205 Base-Backbone interact. energy: -0.001 local terms energy: -34.749721 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: -55749.493 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -55853.910481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55853.910481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.302804 (E_RNA) where: Base-Base interactions energy: -62.285 where: short stacking energy: -28.596 Base-Backbone interact. energy: -0.001 local terms energy: -30.017529 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: -55761.608 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -56215.174607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56215.174607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.061681 (E_RNA) where: Base-Base interactions energy: -64.534 where: short stacking energy: -29.232 Base-Backbone interact. energy: -0.001 local terms energy: -26.526386 where: bonds (distance) C4'-P energy: -2.914 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: -56124.113 (S_DIST_RNA) chem. 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: -55781.421195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55781.421195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.800622 (E_RNA) where: Base-Base interactions energy: -66.416 where: short stacking energy: -35.078 Base-Backbone interact. energy: -0.894 local terms energy: -34.491045 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -6.591 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -8.470 Dist. restrs. and SS energy: -55679.621 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -55935.939868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55935.939868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.121668 (E_RNA) where: Base-Base interactions energy: -66.328 where: short stacking energy: -29.673 Base-Backbone interact. energy: -0.001 local terms energy: -29.792505 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: -55839.818 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -55883.234717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55883.234717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.703167 (E_RNA) where: Base-Base interactions energy: -58.880 where: short stacking energy: -18.677 Base-Backbone interact. energy: -0.041 local terms energy: -25.781479 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -4.292 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: -55798.532 (S_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: 373 Temperature: 1.250000 Total energy: -55993.407670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55993.407670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.760364 (E_RNA) where: Base-Base interactions energy: -60.972 where: short stacking energy: -26.036 Base-Backbone interact. energy: -0.001 local terms energy: -25.787517 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.711 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: -55906.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -56025.755688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56025.755688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.678874 (E_RNA) where: Base-Base interactions energy: -56.428 where: short stacking energy: -31.077 Base-Backbone interact. energy: -2.773 local terms energy: -31.476968 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -9.325 Dist. restrs. and SS energy: -55935.077 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -56013.331193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56013.331193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.168881 (E_RNA) where: Base-Base interactions energy: -60.338 where: short stacking energy: -30.826 Base-Backbone interact. energy: -0.000 local terms energy: -34.830965 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -9.497 Dist. restrs. and SS energy: -55918.162 (S_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: 374 Temperature: 0.900000 Total energy: -56066.728660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56066.728660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.248667 (E_RNA) where: Base-Base interactions energy: -67.761 where: short stacking energy: -33.790 Base-Backbone interact. energy: -0.001 local terms energy: -34.485773 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -9.853 Dist. restrs. and SS energy: -55964.480 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -55953.415548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55953.415548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.351171 (E_RNA) where: Base-Base interactions energy: -65.382 where: short stacking energy: -32.790 Base-Backbone interact. energy: -0.000 local terms energy: -36.968451 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -9.250 Dist. restrs. and SS energy: -55851.064 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -56342.569716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56342.569716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.337571 (E_RNA) where: Base-Base interactions energy: -63.173 where: short stacking energy: -32.212 Base-Backbone interact. energy: -0.032 local terms energy: -33.132156 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -7.244 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: -56246.232 (S_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: 374 Temperature: 1.050000 Total energy: -56001.088051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56001.088051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.121148 (E_RNA) where: Base-Base interactions energy: -67.506 where: short stacking energy: -33.627 Base-Backbone interact. energy: -1.953 local terms energy: -34.662227 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: -55896.967 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -56079.688218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56079.688218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.225534 (E_RNA) where: Base-Base interactions energy: -64.908 where: short stacking energy: -27.756 Base-Backbone interact. energy: -0.536 local terms energy: -30.782072 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -5.546 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: -55983.463 (S_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: 374 Temperature: 1.150000 Total energy: -55917.711060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55917.711060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.722056 (E_RNA) where: Base-Base interactions energy: -71.197 where: short stacking energy: -36.524 Base-Backbone interact. energy: -0.000 local terms energy: -29.525017 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: -55816.989 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -56142.267164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56142.267164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.737148 (E_RNA) where: Base-Base interactions energy: -64.078 where: short stacking energy: -24.578 Base-Backbone interact. energy: -0.002 local terms energy: -27.657331 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: -56050.530 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -56049.209777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56049.209777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.884233 (E_RNA) where: Base-Base interactions energy: -53.241 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.097 local terms energy: -27.545846 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: -55968.326 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -56218.241483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56218.241483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.993233 (E_RNA) where: Base-Base interactions energy: -46.851 where: short stacking energy: -17.014 Base-Backbone interact. energy: -0.084 local terms energy: -22.058264 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: -56149.248 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -56165.603878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56165.603878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.907623 (E_RNA) where: Base-Base interactions energy: -62.105 where: short stacking energy: -18.191 Base-Backbone interact. energy: -0.001 local terms energy: -22.801552 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -3.290 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: -56080.696 (S_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: 375 Temperature: 0.900000 Total energy: -56170.804225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56170.804225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.822522 (E_RNA) where: Base-Base interactions energy: -71.827 where: short stacking energy: -33.712 Base-Backbone interact. energy: -0.000 local terms energy: -29.995119 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -7.727 Dist. restrs. and SS energy: -56068.982 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -56454.280319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56454.280319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.226563 (E_RNA) where: Base-Base interactions energy: -66.644 where: short stacking energy: -29.788 Base-Backbone interact. energy: -0.685 local terms energy: -33.897931 where: bonds (distance) C4'-P energy: -5.624 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -8.933 Dist. restrs. and SS energy: -56353.054 (S_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: -56109.308653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56109.308653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.459963 (E_RNA) where: Base-Base interactions energy: -63.523 where: short stacking energy: -27.742 Base-Backbone interact. energy: -0.643 local terms energy: -35.294176 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: -56009.849 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -56203.052418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56203.052418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.018702 (E_RNA) where: Base-Base interactions energy: -64.498 where: short stacking energy: -26.518 Base-Backbone interact. energy: -0.004 local terms energy: -29.516626 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: -56109.034 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -56118.626488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56118.626488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.898615 (E_RNA) where: Base-Base interactions energy: -65.782 where: short stacking energy: -28.045 Base-Backbone interact. energy: -0.013 local terms energy: -30.104449 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: -56022.728 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -56265.529732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56265.529732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.231589 (E_RNA) where: Base-Base interactions energy: -56.928 where: short stacking energy: -26.190 Base-Backbone interact. energy: -0.001 local terms energy: -29.302834 where: bonds (distance) C4'-P energy: -5.311 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -6.630 Dist. restrs. and SS energy: -56179.298 (S_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: 375 Temperature: 1.200000 Total energy: -56049.731612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56049.731612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.029008 (E_RNA) where: Base-Base interactions energy: -56.242 where: short stacking energy: -20.504 Base-Backbone interact. energy: 0.906 local terms energy: -28.693530 where: bonds (distance) C4'-P energy: -2.940 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: -55965.703 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -56435.967104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56435.967104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.929365 (E_RNA) where: Base-Base interactions energy: -62.308 where: short stacking energy: -27.724 Base-Backbone interact. energy: 2.344 local terms energy: -29.965692 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: -56346.038 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -56209.735334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56209.735334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.533211 (E_RNA) where: Base-Base interactions energy: -57.329 where: short stacking energy: -22.157 Base-Backbone interact. energy: -0.001 local terms energy: -25.202995 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -1.186 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: -56127.202 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -56341.064620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56341.064620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.938205 (E_RNA) where: Base-Base interactions energy: -59.009 where: short stacking energy: -27.763 Base-Backbone interact. energy: -1.196 local terms energy: -30.733294 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: -56250.126 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -56562.509984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56562.509984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.174569 (E_RNA) where: Base-Base interactions energy: -71.891 where: short stacking energy: -23.276 Base-Backbone interact. energy: -0.038 local terms energy: -23.245780 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: 0.396 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: -56467.335 (S_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: 376 Temperature: 0.950000 Total energy: -56270.499139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56270.499139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.159995 (E_RNA) where: Base-Base interactions energy: -69.450 where: short stacking energy: -29.735 Base-Backbone interact. energy: -0.007 local terms energy: -29.702556 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -6.689 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: -56171.339 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -56302.615180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56302.615180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.223230 (E_RNA) where: Base-Base interactions energy: -60.243 where: short stacking energy: -27.105 Base-Backbone interact. energy: -0.001 local terms energy: -34.979773 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -7.869 Dist. restrs. and SS energy: -56207.392 (S_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: 376 Temperature: 1.050000 Total energy: -56217.467326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56217.467326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.751652 (E_RNA) where: Base-Base interactions energy: -63.855 where: short stacking energy: -31.440 Base-Backbone interact. energy: -0.903 local terms energy: -31.992826 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -9.721 Dist. restrs. and SS energy: -56120.716 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -56412.061677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56412.061677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.487472 (E_RNA) where: Base-Base interactions energy: -67.544 where: short stacking energy: -35.522 Base-Backbone interact. energy: -0.000 local terms energy: -30.942783 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -1.695 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: -56313.574 (S_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: 376 Temperature: 1.150000 Total energy: -56250.443571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56250.443571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.707428 (E_RNA) where: Base-Base interactions energy: -62.850 where: short stacking energy: -29.763 Base-Backbone interact. energy: -0.000 local terms energy: -34.856966 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -7.166 Dist. restrs. and SS energy: -56152.736 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -56690.278066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56690.278066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.254419 (E_RNA) where: Base-Base interactions energy: -64.960 where: short stacking energy: -23.001 Base-Backbone interact. energy: -0.000 local terms energy: -32.294073 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: -56593.024 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -56327.831588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56327.831588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.642565 (E_RNA) where: Base-Base interactions energy: -61.438 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.003 local terms energy: -26.201914 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: -56240.189 (S_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: -56606.327683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56606.327683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.271273 (E_RNA) where: Base-Base interactions energy: -62.935 where: short stacking energy: -24.999 Base-Backbone interact. energy: -0.031 local terms energy: -27.304799 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: -56516.056 (S_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: 376 Temperature: 1.350000 Total energy: -56375.049831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56375.049831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.207568 (E_RNA) where: Base-Base interactions energy: -49.196 where: short stacking energy: -20.573 Base-Backbone interact. energy: -0.009 local terms energy: -26.001632 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -1.006 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: -56299.842 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -56639.682736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56639.682736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.565369 (E_RNA) where: Base-Base interactions energy: -67.996 where: short stacking energy: -29.537 Base-Backbone interact. energy: -0.389 local terms energy: -30.180715 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -0.094 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: -56541.117 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -56398.449952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56398.449952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.434221 (E_RNA) where: Base-Base interactions energy: -69.110 where: short stacking energy: -27.335 Base-Backbone interact. energy: -0.005 local terms energy: -36.318982 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -9.058 Dist. restrs. and SS energy: -56293.016 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -56394.710807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56394.710807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.250726 (E_RNA) where: Base-Base interactions energy: -70.519 where: short stacking energy: -33.196 Base-Backbone interact. energy: -0.000 local terms energy: -32.732070 where: bonds (distance) C4'-P energy: -5.754 bonds (distance) P-C4' energy: -6.141 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -8.902 Dist. restrs. and SS energy: -56291.460 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -56534.354948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56534.354948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.259984 (E_RNA) where: Base-Base interactions energy: -61.267 where: short stacking energy: -29.297 Base-Backbone interact. energy: -0.915 local terms energy: -30.077510 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: -56442.095 (S_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: 377 Temperature: 1.100000 Total energy: -56322.349139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56322.349139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.619424 (E_RNA) where: Base-Base interactions energy: -70.212 where: short stacking energy: -35.513 Base-Backbone interact. energy: -0.358 local terms energy: -35.048935 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -9.500 Dist. restrs. and SS energy: -56216.730 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -56823.643498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56823.643498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.259814 (E_RNA) where: Base-Base interactions energy: -65.298 where: short stacking energy: -30.676 Base-Backbone interact. energy: -0.001 local terms energy: -37.959963 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -7.993 Dist. restrs. and SS energy: -56720.384 (S_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: 377 Temperature: 1.200000 Total energy: -56390.802080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56390.802080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.928211 (E_RNA) where: Base-Base interactions energy: -64.015 where: short stacking energy: -28.790 Base-Backbone interact. energy: -0.000 local terms energy: -27.912632 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: -56298.874 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -56746.301197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56746.301197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.155917 (E_RNA) where: Base-Base interactions energy: -70.805 where: short stacking energy: -19.697 Base-Backbone interact. energy: -0.006 local terms energy: -25.345181 where: bonds (distance) C4'-P energy: -4.893 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -1.164 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: -56650.145 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -56471.752085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56471.752085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.415458 (E_RNA) where: Base-Base interactions energy: -52.316 where: short stacking energy: -22.960 Base-Backbone interact. energy: -0.002 local terms energy: -27.097578 where: bonds (distance) C4'-P energy: -1.425 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: -56392.337 (S_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: 377 Temperature: 1.350000 Total energy: -56573.986054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56573.986054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.080680 (E_RNA) where: Base-Base interactions energy: -43.355 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.241 local terms energy: -22.485174 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: -56507.905 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -56711.849813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56711.849813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.877956 (E_RNA) where: Base-Base interactions energy: -69.568 where: short stacking energy: -26.222 Base-Backbone interact. energy: -0.004 local terms energy: -26.305980 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: 1.241 tors. eta vs tors. theta energy: -8.321 Dist. restrs. and SS energy: -56615.972 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -56512.815344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56512.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.710523 (E_RNA) where: Base-Base interactions energy: -69.076 where: short stacking energy: -35.657 Base-Backbone interact. energy: -0.000 local terms energy: -37.634564 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -8.978 Dist. restrs. and SS energy: -56406.105 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -56654.855942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56654.855942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.189439 (E_RNA) where: Base-Base interactions energy: -67.822 where: short stacking energy: -27.025 Base-Backbone interact. energy: 1.653 local terms energy: -31.020640 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -1.292 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: -56557.667 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -56513.811191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56513.811191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.547005 (E_RNA) where: Base-Base interactions energy: -64.017 where: short stacking energy: -21.036 Base-Backbone interact. energy: -0.001 local terms energy: -28.528104 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -4.093 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: -56421.264 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -56929.467190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56929.467190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.913687 (E_RNA) where: Base-Base interactions energy: -61.012 where: short stacking energy: -21.793 Base-Backbone interact. energy: -0.001 local terms energy: -24.901116 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -0.457 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: -56843.554 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -56483.899170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56483.899170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.717782 (E_RNA) where: Base-Base interactions energy: -61.162 where: short stacking energy: -26.373 Base-Backbone interact. energy: 0.460 local terms energy: -31.015814 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: -56392.181 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -56944.888738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56944.888738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.291973 (E_RNA) where: Base-Base interactions energy: -62.795 where: short stacking energy: -30.621 Base-Backbone interact. energy: -0.004 local terms energy: -27.493090 where: bonds (distance) C4'-P energy: -6.590 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -5.621 Dist. restrs. and SS energy: -56854.597 (S_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: 378 Temperature: 1.250000 Total energy: -56572.857772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56572.857772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.032001 (E_RNA) where: Base-Base interactions energy: -65.024 where: short stacking energy: -24.524 Base-Backbone interact. energy: 0.640 local terms energy: -27.647914 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -1.394 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: -56480.826 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -56834.916122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56834.916122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.122423 (E_RNA) where: Base-Base interactions energy: -50.316 where: short stacking energy: -21.135 Base-Backbone interact. energy: -1.150 local terms energy: -24.656720 where: bonds (distance) C4'-P energy: -3.754 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: -56758.794 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -56634.839746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56634.839746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.690447 (E_RNA) where: Base-Base interactions energy: -58.150 where: short stacking energy: -27.971 Base-Backbone interact. energy: 0.263 local terms energy: -32.804337 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -7.829 Dist. restrs. and SS energy: -56544.149 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -56815.301787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56815.301787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.599106 (E_RNA) where: Base-Base interactions energy: -69.483 where: short stacking energy: -26.991 Base-Backbone interact. energy: -0.002 local terms energy: -28.114347 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -2.491 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -7.342 Dist. restrs. and SS energy: -56717.703 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -56783.556209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56783.556209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.919988 (E_RNA) where: Base-Base interactions energy: -68.313 where: short stacking energy: -29.172 Base-Backbone interact. energy: 0.116 local terms energy: -30.723488 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: -56684.636 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -56651.250938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56651.250938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.976694 (E_RNA) where: Base-Base interactions energy: -81.049 where: short stacking energy: -23.857 Base-Backbone interact. energy: -0.005 local terms energy: -32.921920 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: -56537.274 (S_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: 379 Temperature: 1.050000 Total energy: -57018.931947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57018.931947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.106888 (E_RNA) where: Base-Base interactions energy: -65.688 where: short stacking energy: -23.819 Base-Backbone interact. energy: -1.044 local terms energy: -23.374897 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -2.289 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: -56928.825 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -56629.859219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56629.859219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.650378 (E_RNA) where: Base-Base interactions energy: -62.037 where: short stacking energy: -18.492 Base-Backbone interact. energy: 0.626 local terms energy: -26.239365 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: -56542.209 (S_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: 379 Temperature: 1.150000 Total energy: -57063.438563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57063.438563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.679937 (E_RNA) where: Base-Base interactions energy: -60.925 where: short stacking energy: -27.352 Base-Backbone interact. energy: -0.001 local terms energy: -28.753584 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: -56973.759 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -56613.992017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56613.992017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.956285 (E_RNA) where: Base-Base interactions energy: -65.576 where: short stacking energy: -31.826 Base-Backbone interact. energy: -0.002 local terms energy: -27.378042 where: bonds (distance) C4'-P energy: 0.175 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: -56521.036 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -57038.265485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57038.265485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.056743 (E_RNA) where: Base-Base interactions energy: -64.358 where: short stacking energy: -32.839 Base-Backbone interact. energy: -0.000 local terms energy: -24.698794 where: bonds (distance) C4'-P energy: -4.172 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -1.669 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: -56949.209 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -56727.894786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56727.894786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.999736 (E_RNA) where: Base-Base interactions energy: -66.153 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.001 local terms energy: -25.846613 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -4.060 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: -56635.895 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -56868.583461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56868.583461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.763909 (E_RNA) where: Base-Base interactions energy: -62.179 where: short stacking energy: -32.689 Base-Backbone interact. energy: -0.001 local terms energy: -32.584400 where: bonds (distance) C4'-P energy: -6.205 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: -56773.820 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -56909.456553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56909.456553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.396561 (E_RNA) where: Base-Base interactions energy: -70.779 where: short stacking energy: -31.489 Base-Backbone interact. energy: -0.039 local terms energy: -36.579038 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -8.790 Dist. restrs. and SS energy: -56802.060 (S_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: 380 Temperature: 0.950000 Total energy: -56910.557817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56910.557817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.370725 (E_RNA) where: Base-Base interactions energy: -66.531 where: short stacking energy: -29.427 Base-Backbone interact. energy: -0.913 local terms energy: -30.926715 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -8.582 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: -56812.187 (S_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: 380 Temperature: 1.000000 Total energy: -57130.599520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57130.599520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.362188 (E_RNA) where: Base-Base interactions energy: -69.685 where: short stacking energy: -27.581 Base-Backbone interact. energy: -0.001 local terms energy: -35.676495 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -6.475 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: -57025.237 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -56730.841805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56730.841805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.746292 (E_RNA) where: Base-Base interactions energy: -59.636 where: short stacking energy: -23.850 Base-Backbone interact. energy: -0.012 local terms energy: -32.098152 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: -56639.096 (S_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: 380 Temperature: 1.100000 Total energy: -57194.191625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57194.191625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.580966 (E_RNA) where: Base-Base interactions energy: -57.141 where: short stacking energy: -23.666 Base-Backbone interact. energy: -0.059 local terms energy: -27.381693 where: bonds (distance) C4'-P energy: -3.029 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: -57109.611 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -56781.529474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56781.529474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.253606 (E_RNA) where: Base-Base interactions energy: -60.736 where: short stacking energy: -33.512 Base-Backbone interact. energy: -0.001 local terms energy: -31.516181 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -7.899 Dist. restrs. and SS energy: -56689.276 (S_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: -57209.544663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57209.544663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.482113 (E_RNA) where: Base-Base interactions energy: -59.746 where: short stacking energy: -32.178 Base-Backbone interact. energy: -1.568 local terms energy: -37.167732 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: -57111.063 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -56735.295027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56735.295027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.941136 (E_RNA) where: Base-Base interactions energy: -65.937 where: short stacking energy: -29.673 Base-Backbone interact. energy: -0.001 local terms energy: -31.003884 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -1.384 tors. eta vs tors. theta energy: -8.428 Dist. restrs. and SS energy: -56638.354 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -57038.770483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57038.770483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.153353 (E_RNA) where: Base-Base interactions energy: -66.412 where: short stacking energy: -36.480 Base-Backbone interact. energy: -0.788 local terms energy: -31.953003 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -9.320 Dist. restrs. and SS energy: -56939.617 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -56907.959170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56907.959170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.613859 (E_RNA) where: Base-Base interactions energy: -62.210 where: short stacking energy: -32.946 Base-Backbone interact. energy: -0.003 local terms energy: -27.401452 where: bonds (distance) C4'-P energy: -1.242 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -8.341 Dist. restrs. and SS energy: -56818.345 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -56986.906271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56986.906271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.245114 (E_RNA) where: Base-Base interactions energy: -69.460 where: short stacking energy: -27.799 Base-Backbone interact. energy: -0.157 local terms energy: -33.629011 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: -56883.661 (S_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: 381 Temperature: 0.950000 Total energy: -57225.004219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57225.004219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.659720 (E_RNA) where: Base-Base interactions energy: -68.609 where: short stacking energy: -29.912 Base-Backbone interact. energy: -0.141 local terms energy: -33.909611 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: -57122.344 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -57036.522496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57036.522496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.313814 (E_RNA) where: Base-Base interactions energy: -65.264 where: short stacking energy: -26.127 Base-Backbone interact. energy: -0.000 local terms energy: -34.049363 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -8.077 Dist. restrs. and SS energy: -56937.209 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -57325.492044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57325.492044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.456854 (E_RNA) where: Base-Base interactions energy: -67.923 where: short stacking energy: -26.764 Base-Backbone interact. energy: -0.014 local terms energy: -28.520306 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -6.362 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: -57229.035 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -56839.007641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56839.007641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.832447 (E_RNA) where: Base-Base interactions energy: -67.344 where: short stacking energy: -34.612 Base-Backbone interact. energy: -0.001 local terms energy: -26.487486 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -0.458 tors. eta vs tors. theta energy: -7.074 Dist. restrs. and SS energy: -56745.175 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -57336.205725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57336.205725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.608494 (E_RNA) where: Base-Base interactions energy: -62.977 where: short stacking energy: -27.654 Base-Backbone interact. energy: -0.401 local terms energy: -36.229992 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -9.087 Dist. restrs. and SS energy: -57236.597 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -56999.119633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56999.119633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.717604 (E_RNA) where: Base-Base interactions energy: -66.177 where: short stacking energy: -24.607 Base-Backbone interact. energy: -0.041 local terms energy: -21.499527 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: 4.219 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: -56911.402 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -57211.156298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57211.156298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.920281 (E_RNA) where: Base-Base interactions energy: -53.913 where: short stacking energy: -27.273 Base-Backbone interact. energy: -0.011 local terms energy: -29.996345 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.259 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: -57127.236 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -56955.384614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56955.384614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.287957 (E_RNA) where: Base-Base interactions energy: -62.251 where: short stacking energy: -23.182 Base-Backbone interact. energy: -0.001 local terms energy: -22.036375 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -3.688 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: 0.192 tors. eta vs tors. theta energy: -6.552 Dist. restrs. and SS energy: -56871.097 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -57101.158168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57101.158168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.667545 (E_RNA) where: Base-Base interactions energy: -58.304 where: short stacking energy: -28.887 Base-Backbone interact. energy: -0.003 local terms energy: -28.360809 where: bonds (distance) C4'-P energy: -4.418 bonds (distance) P-C4' energy: -5.468 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: -57014.491 (S_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: 382 Temperature: 0.900000 Total energy: -57312.840952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57312.840952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.181910 (E_RNA) where: Base-Base interactions energy: -68.783 where: short stacking energy: -28.835 Base-Backbone interact. energy: -0.000 local terms energy: -34.398450 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -6.803 Dist. restrs. and SS energy: -57209.659 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -57074.226095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57074.226095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.179384 (E_RNA) where: Base-Base interactions energy: -63.982 where: short stacking energy: -28.643 Base-Backbone interact. energy: -0.369 local terms energy: -34.828885 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: -56975.047 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -57421.523725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57421.523725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.942705 (E_RNA) where: Base-Base interactions energy: -64.948 where: short stacking energy: -25.509 Base-Backbone interact. energy: -0.002 local terms energy: -29.992277 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -6.556 Dist. restrs. and SS energy: -57326.581 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -57153.068836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57153.068836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.404416 (E_RNA) where: Base-Base interactions energy: -69.675 where: short stacking energy: -35.731 Base-Backbone interact. energy: -1.795 local terms energy: -37.934447 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -8.279 Dist. restrs. and SS energy: -57043.664 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -57432.281083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57432.281083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.141720 (E_RNA) where: Base-Base interactions energy: -63.282 where: short stacking energy: -34.519 Base-Backbone interact. energy: -0.659 local terms energy: -23.200409 where: bonds (distance) C4'-P energy: -0.348 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: -57345.139 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -56950.638239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56950.638239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.978095 (E_RNA) where: Base-Base interactions energy: -65.848 where: short stacking energy: -26.067 Base-Backbone interact. energy: -0.002 local terms energy: -36.128386 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -8.600 Dist. restrs. and SS energy: -56848.660 (S_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: 382 Temperature: 1.200000 Total energy: -57361.561514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57361.561514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.038012 (E_RNA) where: Base-Base interactions energy: -55.465 where: short stacking energy: -26.016 Base-Backbone interact. energy: -0.002 local terms energy: -28.571399 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -4.309 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: -57277.524 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -57173.946224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57173.946224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.259088 (E_RNA) where: Base-Base interactions energy: -66.949 where: short stacking energy: -25.119 Base-Backbone interact. energy: -0.002 local terms energy: -28.307962 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -5.123 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -8.124 Dist. restrs. and SS energy: -57078.687 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -57278.718827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57278.718827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.532093 (E_RNA) where: Base-Base interactions energy: -64.784 where: short stacking energy: -30.610 Base-Backbone interact. energy: 0.391 local terms energy: -27.139146 where: bonds (distance) C4'-P energy: -1.763 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: -57187.187 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -57100.907577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57100.907577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.467165 (E_RNA) where: Base-Base interactions energy: -65.806 where: short stacking energy: -34.214 Base-Backbone interact. energy: -0.000 local terms energy: -29.660760 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: -57005.440 (S_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: 383 Temperature: 0.900000 Total energy: -57412.645087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57412.645087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.312043 (E_RNA) where: Base-Base interactions energy: -69.232 where: short stacking energy: -34.441 Base-Backbone interact. energy: -0.000 local terms energy: -36.080363 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -8.690 Dist. restrs. and SS energy: -57307.333 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -57536.439030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57536.439030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.875835 (E_RNA) where: Base-Base interactions energy: -69.709 where: short stacking energy: -33.217 Base-Backbone interact. energy: -0.001 local terms energy: -28.165470 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -1.395 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: -57438.563 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -57216.862951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57216.862951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.389029 (E_RNA) where: Base-Base interactions energy: -72.717 where: short stacking energy: -37.525 Base-Backbone interact. energy: -0.000 local terms energy: -36.671570 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -9.493 Dist. restrs. and SS energy: -57107.474 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -57560.212524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57560.212524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.634445 (E_RNA) where: Base-Base interactions energy: -68.140 where: short stacking energy: -27.701 Base-Backbone interact. energy: -0.030 local terms energy: -33.464436 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -6.070 Dist. restrs. and SS energy: -57458.578 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -57265.339060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57265.339060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.112205 (E_RNA) where: Base-Base interactions energy: -63.242 where: short stacking energy: -24.547 Base-Backbone interact. energy: -0.001 local terms energy: -32.869382 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -8.096 Dist. restrs. and SS energy: -57169.227 (S_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: 383 Temperature: 1.150000 Total energy: -57586.266403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57586.266403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.178167 (E_RNA) where: Base-Base interactions energy: -60.894 where: short stacking energy: -27.282 Base-Backbone interact. energy: 0.187 local terms energy: -22.471387 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: 1.032 Dist. restrs. and SS energy: -57503.088 (S_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: 383 Temperature: 1.200000 Total energy: -57066.094613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57066.094613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.446788 (E_RNA) where: Base-Base interactions energy: -53.955 where: short stacking energy: -18.960 Base-Backbone interact. energy: -0.078 local terms energy: -19.413325 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -1.103 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: -56992.648 (S_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: 383 Temperature: 1.250000 Total energy: -57452.984408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57452.984408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.785824 (E_RNA) where: Base-Base interactions energy: -68.574 where: short stacking energy: -37.909 Base-Backbone interact. energy: -0.001 local terms energy: -32.211444 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: -57352.199 (S_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: -57397.601427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57397.601427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.088476 (E_RNA) where: Base-Base interactions energy: -59.796 where: short stacking energy: -23.659 Base-Backbone interact. energy: -0.126 local terms energy: -24.166590 where: bonds (distance) C4'-P energy: -4.317 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: 0.840 tors. eta vs tors. theta energy: -5.876 Dist. restrs. and SS energy: -57313.513 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -57247.779444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57247.779444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.824068 (E_RNA) where: Base-Base interactions energy: -60.553 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.001 local terms energy: -34.270512 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: -57152.955 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -57638.517981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57638.517981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.431474 (E_RNA) where: Base-Base interactions energy: -63.921 where: short stacking energy: -25.622 Base-Backbone interact. energy: -0.436 local terms energy: -32.075198 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -7.922 Dist. restrs. and SS energy: -57542.087 (S_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: 384 Temperature: 0.950000 Total energy: -57508.576890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57508.576890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.208361 (E_RNA) where: Base-Base interactions energy: -65.092 where: short stacking energy: -28.542 Base-Backbone interact. energy: -0.001 local terms energy: -27.115436 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: -57416.369 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -57656.231946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57656.231946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.559618 (E_RNA) where: Base-Base interactions energy: -61.884 where: short stacking energy: -26.330 Base-Backbone interact. energy: -0.010 local terms energy: -33.665630 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: -57560.672 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -57399.648436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57399.648436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.982105 (E_RNA) where: Base-Base interactions energy: -59.267 where: short stacking energy: -21.289 Base-Backbone interact. energy: -0.011 local terms energy: -19.704071 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -6.329 flat angles C4'-P-C4' energy: -1.151 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: -57320.666 (S_DIST_RNA) chem. 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: -57858.867345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57858.867345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.134821 (E_RNA) where: Base-Base interactions energy: -61.415 where: short stacking energy: -23.603 Base-Backbone interact. energy: 5.922 local terms energy: -22.642456 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: 1.141 Dist. restrs. and SS energy: -57780.733 (S_DIST_RNA) chem. 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: -57431.070953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57431.070953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.895922 (E_RNA) where: Base-Base interactions energy: -65.351 where: short stacking energy: -31.594 Base-Backbone interact. energy: -0.001 local terms energy: -27.543903 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: -57338.175 (S_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: 384 Temperature: 1.200000 Total energy: -57584.586510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57584.586510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.375063 (E_RNA) where: Base-Base interactions energy: -61.606 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.019 local terms energy: -26.750397 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -2.168 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -5.663 Dist. restrs. and SS energy: -57496.211 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -57229.315595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57229.315595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.098383 (E_RNA) where: Base-Base interactions energy: -73.633 where: short stacking energy: -27.358 Base-Backbone interact. energy: -0.006 local terms energy: -25.458492 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -1.947 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: -57130.217 (S_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: -57566.660112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57566.660112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.727921 (E_RNA) where: Base-Base interactions energy: -61.456 where: short stacking energy: -27.539 Base-Backbone interact. energy: -0.002 local terms energy: -32.269910 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.103 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -1.398 tors. eta vs tors. theta energy: -8.996 Dist. restrs. and SS energy: -57472.932 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -57381.981593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57381.981593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.465038 (E_RNA) where: Base-Base interactions energy: -59.132 where: short stacking energy: -28.185 Base-Backbone interact. energy: -0.001 local terms energy: -25.332275 where: bonds (distance) C4'-P energy: -2.587 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: -57297.517 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -57726.445277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57726.445277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.734459 (E_RNA) where: Base-Base interactions energy: -73.561 where: short stacking energy: -29.825 Base-Backbone interact. energy: -0.243 local terms energy: -33.930591 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -5.029 Dist. restrs. and SS energy: -57618.711 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -57760.465075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57760.465075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.817739 (E_RNA) where: Base-Base interactions energy: -63.335 where: short stacking energy: -30.993 Base-Backbone interact. energy: -0.004 local terms energy: -33.478519 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -7.385 Dist. restrs. and SS energy: -57663.647 (S_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: 385 Temperature: 1.000000 Total energy: -57642.894587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57642.894587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.550782 (E_RNA) where: Base-Base interactions energy: -64.490 where: short stacking energy: -34.134 Base-Backbone interact. energy: -0.001 local terms energy: -34.060597 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -10.003 Dist. restrs. and SS energy: -57544.344 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -58069.662596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58069.662596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.369064 (E_RNA) where: Base-Base interactions energy: -64.532 where: short stacking energy: -26.387 Base-Backbone interact. energy: 4.544 local terms energy: -28.380675 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.527 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: -57981.294 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -57691.330491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57691.330491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.112404 (E_RNA) where: Base-Base interactions energy: -62.628 where: short stacking energy: -26.354 Base-Backbone interact. energy: -0.064 local terms energy: -23.421255 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: -57605.218 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -57743.156686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57743.156686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.729374 (E_RNA) where: Base-Base interactions energy: -68.671 where: short stacking energy: -37.053 Base-Backbone interact. energy: -0.672 local terms energy: -30.386090 where: bonds (distance) C4'-P energy: -4.674 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -8.745 Dist. restrs. and SS energy: -57643.427 (S_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: 385 Temperature: 1.200000 Total energy: -57594.398115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57594.398115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.394850 (E_RNA) where: Base-Base interactions energy: -60.407 where: short stacking energy: -24.279 Base-Backbone interact. energy: -0.008 local terms energy: -31.980404 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -0.939 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: -57502.003 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -57741.652093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57741.652093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.723972 (E_RNA) where: Base-Base interactions energy: -63.160 where: short stacking energy: -25.918 Base-Backbone interact. energy: -0.004 local terms energy: -28.560313 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: -57649.928 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -57392.419178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57392.419178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.381178 (E_RNA) where: Base-Base interactions energy: -54.398 where: short stacking energy: -26.735 Base-Backbone interact. energy: -0.000 local terms energy: -28.982584 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -0.275 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: -57309.038 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -57572.254471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57572.254471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.947787 (E_RNA) where: Base-Base interactions energy: -59.947 where: short stacking energy: -31.329 Base-Backbone interact. energy: -0.786 local terms energy: -33.214456 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -8.061 Dist. restrs. and SS energy: -57478.307 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -57874.208967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57874.208967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.570564 (E_RNA) where: Base-Base interactions energy: -63.970 where: short stacking energy: -33.159 Base-Backbone interact. energy: -0.974 local terms energy: -36.626489 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -7.779 Dist. restrs. and SS energy: -57772.638 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -57831.479979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57831.479979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.764619 (E_RNA) where: Base-Base interactions energy: -64.355 where: short stacking energy: -26.125 Base-Backbone interact. energy: -0.002 local terms energy: -36.408069 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: -57730.715 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -58312.324367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58312.324367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.417109 (E_RNA) where: Base-Base interactions energy: -59.438 where: short stacking energy: -26.337 Base-Backbone interact. energy: 1.596 local terms energy: -31.575713 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: -58222.907 (S_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: -57787.704257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57787.704257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.528633 (E_RNA) where: Base-Base interactions energy: -63.319 where: short stacking energy: -30.095 Base-Backbone interact. energy: -0.000 local terms energy: -33.209703 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: -57691.176 (S_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: 386 Temperature: 1.100000 Total energy: -57864.367788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57864.367788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.213467 (E_RNA) where: Base-Base interactions energy: -64.642 where: short stacking energy: -29.373 Base-Backbone interact. energy: -0.080 local terms energy: -24.492030 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: 1.591 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: -57775.154 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -57884.820170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57884.820170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.516786 (E_RNA) where: Base-Base interactions energy: -44.852 where: short stacking energy: -19.476 Base-Backbone interact. energy: -0.162 local terms energy: -21.502968 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -2.803 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -1.253 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: -57818.303 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -57853.399651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57853.399651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.085038 (E_RNA) where: Base-Base interactions energy: -60.392 where: short stacking energy: -28.001 Base-Backbone interact. energy: -0.169 local terms energy: -33.523915 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: -57759.315 (S_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: 386 Temperature: 1.250000 Total energy: -57754.179985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57754.179985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.205251 (E_RNA) where: Base-Base interactions energy: -64.902 where: short stacking energy: -25.865 Base-Backbone interact. energy: -0.279 local terms energy: -29.023930 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: -57659.975 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -57728.055859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57728.055859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.906965 (E_RNA) where: Base-Base interactions energy: -64.620 where: short stacking energy: -31.926 Base-Backbone interact. energy: -0.039 local terms energy: -35.248071 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -8.936 Dist. restrs. and SS energy: -57628.149 (S_DIST_RNA) chem. 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: -57543.099584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57543.099584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.362436 (E_RNA) where: Base-Base interactions energy: -59.842 where: short stacking energy: -26.840 Base-Backbone interact. energy: -0.002 local terms energy: -30.518803 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -2.370 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: -57452.737 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -57982.776911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57982.776911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.748291 (E_RNA) where: Base-Base interactions energy: -61.925 where: short stacking energy: -26.448 Base-Backbone interact. energy: -0.352 local terms energy: -32.471297 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: -57888.029 (S_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: 387 Temperature: 0.950000 Total energy: -58533.566389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58533.566389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.611009 (E_RNA) where: Base-Base interactions energy: -62.751 where: short stacking energy: -25.263 Base-Backbone interact. energy: -0.007 local terms energy: -27.852311 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: -58442.955 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -57930.528693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57930.528693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.568669 (E_RNA) where: Base-Base interactions energy: -59.962 where: short stacking energy: -28.119 Base-Backbone interact. energy: -0.001 local terms energy: -34.605773 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -7.714 Dist. restrs. and SS energy: -57835.960 (S_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: 387 Temperature: 1.050000 Total energy: -57981.283854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57981.283854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.075998 (E_RNA) where: Base-Base interactions energy: -68.946 where: short stacking energy: -29.962 Base-Backbone interact. energy: -0.014 local terms energy: -30.116119 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -7.039 Dist. restrs. and SS energy: -57882.208 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -57911.679069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57911.679069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.618891 (E_RNA) where: Base-Base interactions energy: -62.129 where: short stacking energy: -29.756 Base-Backbone interact. energy: -0.000 local terms energy: -34.490079 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: -57815.060 (S_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: 387 Temperature: 1.150000 Total energy: -57992.904518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57992.904518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.267779 (E_RNA) where: Base-Base interactions energy: -59.924 where: short stacking energy: -23.433 Base-Backbone interact. energy: 0.611 local terms energy: -28.955446 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: -57904.637 (S_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: 387 Temperature: 1.200000 Total energy: -58179.951712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58179.951712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.958907 (E_RNA) where: Base-Base interactions energy: -52.839 where: short stacking energy: -21.587 Base-Backbone interact. energy: -0.020 local terms energy: -29.099240 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -1.039 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: -58097.993 (S_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: 387 Temperature: 1.250000 Total energy: -57896.026920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57896.026920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.226697 (E_RNA) where: Base-Base interactions energy: -56.031 where: short stacking energy: -24.807 Base-Backbone interact. energy: -1.060 local terms energy: -31.136049 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: -57807.800 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -57897.046851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57897.046851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.128457 (E_RNA) where: Base-Base interactions energy: -49.227 where: short stacking energy: -20.484 Base-Backbone interact. energy: -0.042 local terms energy: -27.859387 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.545 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -5.318 Dist. restrs. and SS energy: -57819.918 (S_DIST_RNA) chem. 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: -57710.468774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57710.468774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.529793 (E_RNA) where: Base-Base interactions energy: -53.766 where: short stacking energy: -24.695 Base-Backbone interact. energy: -0.045 local terms energy: -27.718803 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: -57628.939 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -58723.865726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58723.865726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.843099 (E_RNA) where: Base-Base interactions energy: -62.538 where: short stacking energy: -31.422 Base-Backbone interact. energy: -0.000 local terms energy: -33.304830 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -1.753 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: -58628.023 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -58070.321107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58070.321107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.969081 (E_RNA) where: Base-Base interactions energy: -63.476 where: short stacking energy: -29.501 Base-Backbone interact. energy: -0.867 local terms energy: -34.626086 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: -57971.352 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -58048.724874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58048.724874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.728246 (E_RNA) where: Base-Base interactions energy: -69.187 where: short stacking energy: -27.454 Base-Backbone interact. energy: -0.009 local terms energy: -31.531951 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -1.658 tors. eta vs tors. theta energy: -7.453 Dist. restrs. and SS energy: -57947.997 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -58091.959886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58091.959886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.201887 (E_RNA) where: Base-Base interactions energy: -59.572 where: short stacking energy: -30.473 Base-Backbone interact. energy: -0.349 local terms energy: -36.279919 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -8.984 Dist. restrs. and SS energy: -57995.758 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -58127.155995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58127.155995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.083915 (E_RNA) where: Base-Base interactions energy: -64.086 where: short stacking energy: -29.442 Base-Backbone interact. energy: -0.015 local terms energy: -29.982741 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.742 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: -58033.072 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -58051.711653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58051.711653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.073019 (E_RNA) where: Base-Base interactions energy: -59.451 where: short stacking energy: -30.779 Base-Backbone interact. energy: -0.040 local terms energy: -28.582015 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: -57963.639 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -58415.101088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58415.101088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.741730 (E_RNA) where: Base-Base interactions energy: -58.992 where: short stacking energy: -29.129 Base-Backbone interact. energy: -0.005 local terms energy: -33.744096 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -5.925 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: -58322.359 (S_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: 388 Temperature: 1.250000 Total energy: -58111.554499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58111.554499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.577021 (E_RNA) where: Base-Base interactions energy: -55.538 where: short stacking energy: -18.185 Base-Backbone interact. energy: -0.002 local terms energy: -25.037196 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: -58030.977 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -58090.958293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58090.958293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.223663 (E_RNA) where: Base-Base interactions energy: -59.017 where: short stacking energy: -25.758 Base-Backbone interact. energy: -0.698 local terms energy: -25.508916 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.238 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: -58005.735 (S_DIST_RNA) chem. 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: -57922.682446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57922.682446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.546745 (E_RNA) where: Base-Base interactions energy: -53.967 where: short stacking energy: -24.648 Base-Backbone interact. energy: -0.551 local terms energy: -31.028757 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: -57837.136 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -58837.968894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58837.968894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.235867 (E_RNA) where: Base-Base interactions energy: -67.293 where: short stacking energy: -32.305 Base-Backbone interact. energy: -0.000 local terms energy: -34.942600 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -6.616 Dist. restrs. and SS energy: -58735.733 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -58156.368254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58156.368254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.451501 (E_RNA) where: Base-Base interactions energy: -72.258 where: short stacking energy: -30.665 Base-Backbone interact. energy: -0.001 local terms energy: -29.192349 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: -58054.917 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -58164.602995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58164.602995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.297250 (E_RNA) where: Base-Base interactions energy: -62.941 where: short stacking energy: -30.567 Base-Backbone interact. energy: -1.402 local terms energy: -27.954023 where: bonds (distance) C4'-P energy: -3.486 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: -58072.306 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -58292.092168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58292.092168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.032419 (E_RNA) where: Base-Base interactions energy: -63.476 where: short stacking energy: -23.974 Base-Backbone interact. energy: -0.053 local terms energy: -27.504351 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: -58201.060 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -58212.742921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58212.742921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.552206 (E_RNA) where: Base-Base interactions energy: -64.595 where: short stacking energy: -28.457 Base-Backbone interact. energy: -0.002 local terms energy: -30.956166 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -5.736 Dist. restrs. and SS energy: -58117.191 (S_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: 389 Temperature: 1.150000 Total energy: -58556.963271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58556.963271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.520133 (E_RNA) where: Base-Base interactions energy: -67.572 where: short stacking energy: -34.571 Base-Backbone interact. energy: -0.000 local terms energy: -28.947806 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -2.078 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: -58460.443 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -58226.936279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58226.936279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.376352 (E_RNA) where: Base-Base interactions energy: -56.854 where: short stacking energy: -23.583 Base-Backbone interact. energy: -0.016 local terms energy: -29.506760 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -4.990 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: -58140.560 (S_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: 389 Temperature: 1.250000 Total energy: -58282.610993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58282.610993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.950901 (E_RNA) where: Base-Base interactions energy: -63.867 where: short stacking energy: -32.376 Base-Backbone interact. energy: -0.002 local terms energy: -28.081455 where: bonds (distance) C4'-P energy: -2.477 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -7.490 Dist. restrs. and SS energy: -58190.660 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -58252.124660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58252.124660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.243855 (E_RNA) where: Base-Base interactions energy: -61.100 where: short stacking energy: -26.501 Base-Backbone interact. energy: -0.192 local terms energy: -21.952068 where: bonds (distance) C4'-P energy: -2.475 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -2.092 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: -58168.881 (S_DIST_RNA) chem. 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: -58069.493590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58069.493590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.846306 (E_RNA) where: Base-Base interactions energy: -63.948 where: short stacking energy: -17.264 Base-Backbone interact. energy: 0.414 local terms energy: -23.312111 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -6.251 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: -57982.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -58928.108268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58928.108268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.872003 (E_RNA) where: Base-Base interactions energy: -67.608 where: short stacking energy: -33.790 Base-Backbone interact. energy: -0.686 local terms energy: -36.578047 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -9.700 Dist. restrs. and SS energy: -58823.236 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -58253.444161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58253.444161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.361949 (E_RNA) where: Base-Base interactions energy: -63.942 where: short stacking energy: -25.125 Base-Backbone interact. energy: -0.000 local terms energy: -36.419962 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.158 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -6.955 Dist. restrs. and SS energy: -58153.082 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -58405.172116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58405.172116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.060593 (E_RNA) where: Base-Base interactions energy: -73.895 where: short stacking energy: -27.109 Base-Backbone interact. energy: -0.003 local terms energy: -30.162683 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -6.516 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: -58301.112 (S_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: 390 Temperature: 1.050000 Total energy: -58284.132244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58284.132244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.982252 (E_RNA) where: Base-Base interactions energy: -68.930 where: short stacking energy: -28.879 Base-Backbone interact. energy: -0.047 local terms energy: -31.005466 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: -58184.150 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -58712.838376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58712.838376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.818731 (E_RNA) where: Base-Base interactions energy: -63.623 where: short stacking energy: -28.149 Base-Backbone interact. energy: -0.001 local terms energy: -36.194980 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: -58613.020 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -58346.475831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58346.475831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.112248 (E_RNA) where: Base-Base interactions energy: -62.065 where: short stacking energy: -28.664 Base-Backbone interact. energy: 0.562 local terms energy: -30.609703 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: -58254.364 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -58405.211148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58405.211148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.150184 (E_RNA) where: Base-Base interactions energy: -56.779 where: short stacking energy: -20.132 Base-Backbone interact. energy: -0.059 local terms energy: -28.312126 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: -58320.061 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -58506.142179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58506.142179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.871438 (E_RNA) where: Base-Base interactions energy: -64.490 where: short stacking energy: -27.183 Base-Backbone interact. energy: -0.020 local terms energy: -28.361709 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: -58413.271 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -58438.062240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58438.062240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.056181 (E_RNA) where: Base-Base interactions energy: -67.231 where: short stacking energy: -29.082 Base-Backbone interact. energy: -0.003 local terms energy: -25.821503 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: -58345.006 (S_DIST_RNA) chem. 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: -58301.522660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58301.522660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.222683 (E_RNA) where: Base-Base interactions energy: -61.177 where: short stacking energy: -25.666 Base-Backbone interact. energy: -0.737 local terms energy: -22.309156 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -3.456 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: -58217.300 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -59036.773056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59036.773056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.634680 (E_RNA) where: Base-Base interactions energy: -66.030 where: short stacking energy: -26.277 Base-Backbone interact. energy: -0.001 local terms energy: -30.604446 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -8.321 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -7.757 Dist. restrs. and SS energy: -58940.138 (S_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: 391 Temperature: 0.950000 Total energy: -58490.701366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58490.701366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.266296 (E_RNA) where: Base-Base interactions energy: -67.246 where: short stacking energy: -32.815 Base-Backbone interact. energy: -0.000 local terms energy: -35.019922 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -8.675 Dist. restrs. and SS energy: -58388.435 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -58351.595167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58351.595167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.371214 (E_RNA) where: Base-Base interactions energy: -72.696 where: short stacking energy: -28.243 Base-Backbone interact. energy: -0.150 local terms energy: -27.524675 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: -58251.224 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -58809.002603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58809.002603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.531935 (E_RNA) where: Base-Base interactions energy: -64.585 where: short stacking energy: -29.469 Base-Backbone interact. energy: -0.006 local terms energy: -32.940798 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -7.127 Dist. restrs. and SS energy: -58711.471 (S_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: 391 Temperature: 1.100000 Total energy: -58405.324097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58405.324097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.368985 (E_RNA) where: Base-Base interactions energy: -69.343 where: short stacking energy: -22.657 Base-Backbone interact. energy: -0.187 local terms energy: -24.839645 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: 0.676 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: -58310.955 (S_DIST_RNA) chem. 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: -58520.566987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58520.566987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.399887 (E_RNA) where: Base-Base interactions energy: -69.390 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.005 local terms energy: -23.005002 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: -58428.167 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -58491.192914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58491.192914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.508533 (E_RNA) where: Base-Base interactions energy: -60.852 where: short stacking energy: -25.255 Base-Backbone interact. energy: -0.252 local terms energy: -32.404182 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: -58397.684 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -58776.282661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58776.282661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.612858 (E_RNA) where: Base-Base interactions energy: -50.123 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.054 local terms energy: -27.436079 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: -58698.670 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -58556.819437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58556.819437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.335257 (E_RNA) where: Base-Base interactions energy: -54.450 where: short stacking energy: -22.212 Base-Backbone interact. energy: -0.002 local terms energy: -21.883069 where: bonds (distance) C4'-P energy: -2.575 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: -58480.484 (S_DIST_RNA) chem. 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: -58506.918404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58506.918404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.119219 (E_RNA) where: Base-Base interactions energy: -63.334 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.051 local terms energy: -22.733470 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -1.015 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: -58420.799 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -59154.114507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59154.114507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.055912 (E_RNA) where: Base-Base interactions energy: -70.884 where: short stacking energy: -29.791 Base-Backbone interact. energy: -1.294 local terms energy: -33.877680 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -5.263 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -5.209 Dist. restrs. and SS energy: -59048.059 (S_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: 392 Temperature: 0.950000 Total energy: -58594.665104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58594.665104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.607822 (E_RNA) where: Base-Base interactions energy: -66.125 where: short stacking energy: -34.268 Base-Backbone interact. energy: -0.904 local terms energy: -33.578945 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: -58494.057 (S_DIST_RNA) chem. 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: -58924.378791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58924.378791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.033389 (E_RNA) where: Base-Base interactions energy: -67.978 where: short stacking energy: -30.037 Base-Backbone interact. energy: -0.449 local terms energy: -35.606710 where: bonds (distance) C4'-P energy: -5.588 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: -58820.345 (S_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: 392 Temperature: 1.050000 Total energy: -58456.963085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58456.963085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.671833 (E_RNA) where: Base-Base interactions energy: -67.800 where: short stacking energy: -23.818 Base-Backbone interact. energy: -0.011 local terms energy: -26.860400 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: -58362.291 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -58622.202214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58622.202214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.560144 (E_RNA) where: Base-Base interactions energy: -61.218 where: short stacking energy: -27.157 Base-Backbone interact. energy: -0.001 local terms energy: -33.340520 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: -58527.642 (S_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: 392 Temperature: 1.150000 Total energy: -58547.351397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58547.351397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.027543 (E_RNA) where: Base-Base interactions energy: -64.740 where: short stacking energy: -33.298 Base-Backbone interact. energy: -0.931 local terms energy: -36.356871 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -9.142 Dist. restrs. and SS energy: -58445.324 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -59067.153653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59067.153653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.640757 (E_RNA) where: Base-Base interactions energy: -54.086 where: short stacking energy: -29.420 Base-Backbone interact. energy: -0.009 local terms energy: -24.545242 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -4.954 flat angles C4'-P-C4' energy: -2.421 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: -58988.513 (S_DIST_RNA) chem. 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: -58616.121185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58616.121185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.734539 (E_RNA) where: Base-Base interactions energy: -51.308 where: short stacking energy: -20.306 Base-Backbone interact. energy: -0.182 local terms energy: -25.244176 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -5.894 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: -58539.387 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -58683.636412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58683.636412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.245994 (E_RNA) where: Base-Base interactions energy: -65.605 where: short stacking energy: -31.101 Base-Backbone interact. energy: -0.000 local terms energy: -32.641208 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -9.028 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -7.027 Dist. restrs. and SS energy: -58585.390 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -58745.058240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58745.058240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.785885 (E_RNA) where: Base-Base interactions energy: -66.624 where: short stacking energy: -30.181 Base-Backbone interact. energy: -0.368 local terms energy: -29.793838 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: -58648.272 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -59237.110185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59237.110185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.323273 (E_RNA) where: Base-Base interactions energy: -66.983 where: short stacking energy: -27.588 Base-Backbone interact. energy: -0.359 local terms energy: -29.981086 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -4.913 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -7.453 Dist. restrs. and SS energy: -59139.787 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -59031.052189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59031.052189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.221415 (E_RNA) where: Base-Base interactions energy: -67.055 where: short stacking energy: -25.278 Base-Backbone interact. energy: -0.005 local terms energy: -32.161457 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -8.231 Dist. restrs. and SS energy: -58931.831 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -58707.886667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58707.886667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.432642 (E_RNA) where: Base-Base interactions energy: -62.769 where: short stacking energy: -26.527 Base-Backbone interact. energy: -0.001 local terms energy: -36.662401 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: -58608.454 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -58761.247097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58761.247097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.919657 (E_RNA) where: Base-Base interactions energy: -63.615 where: short stacking energy: -28.887 Base-Backbone interact. energy: -0.006 local terms energy: -30.299524 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -0.204 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: -58667.327 (S_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: 393 Temperature: 1.100000 Total energy: -58567.859714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58567.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.241801 (E_RNA) where: Base-Base interactions energy: -56.198 where: short stacking energy: -25.986 Base-Backbone interact. energy: -0.002 local terms energy: -35.042166 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: -58476.618 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -59227.669596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59227.669596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.842814 (E_RNA) where: Base-Base interactions energy: -55.325 where: short stacking energy: -21.686 Base-Backbone interact. energy: -0.008 local terms energy: -25.510201 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: -59146.827 (S_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: -58664.791687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58664.791687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.708413 (E_RNA) where: Base-Base interactions energy: -62.740 where: short stacking energy: -22.685 Base-Backbone interact. energy: -0.000 local terms energy: -31.967842 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -6.827 Dist. restrs. and SS energy: -58570.083 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -58835.632612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58835.632612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.594896 (E_RNA) where: Base-Base interactions energy: -58.065 where: short stacking energy: -28.512 Base-Backbone interact. energy: -0.002 local terms energy: -25.527556 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: -58752.038 (S_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: 393 Temperature: 1.300000 Total energy: -58798.041861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58798.041861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.164457 (E_RNA) where: Base-Base interactions energy: -63.837 where: short stacking energy: -27.205 Base-Backbone interact. energy: -0.196 local terms energy: -24.131721 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: -58709.877 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -58889.202000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58889.202000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.539569 (E_RNA) where: Base-Base interactions energy: -56.785 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.014 local terms energy: -26.739826 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: -58805.662 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -59334.587342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59334.587342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.931682 (E_RNA) where: Base-Base interactions energy: -61.967 where: short stacking energy: -24.913 Base-Backbone interact. energy: -0.899 local terms energy: -35.066153 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -7.348 Dist. restrs. and SS energy: -59236.656 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -59122.729677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59122.729677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.713207 (E_RNA) where: Base-Base interactions energy: -70.183 where: short stacking energy: -27.902 Base-Backbone interact. energy: -0.025 local terms energy: -32.505055 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: -59020.016 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -58876.076273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58876.076273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.754537 (E_RNA) where: Base-Base interactions energy: -74.532 where: short stacking energy: -30.008 Base-Backbone interact. energy: -1.333 local terms energy: -24.889435 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -0.160 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: -58775.322 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -58806.905962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58806.905962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.886546 (E_RNA) where: Base-Base interactions energy: -58.453 where: short stacking energy: -26.148 Base-Backbone interact. energy: 0.409 local terms energy: -28.843017 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: -58720.019 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -59377.051964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59377.051964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.376494 (E_RNA) where: Base-Base interactions energy: -63.182 where: short stacking energy: -29.575 Base-Backbone interact. energy: -0.001 local terms energy: -29.193384 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.528 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -8.959 Dist. restrs. and SS energy: -59284.675 (S_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: 394 Temperature: 1.150000 Total energy: -58759.516411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58759.516411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.736183 (E_RNA) where: Base-Base interactions energy: -65.076 where: short stacking energy: -31.358 Base-Backbone interact. energy: -1.293 local terms energy: -32.367677 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: -58660.780 (S_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: 394 Temperature: 1.200000 Total energy: -59012.695993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59012.695993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.027341 (E_RNA) where: Base-Base interactions energy: -67.687 where: short stacking energy: -27.408 Base-Backbone interact. energy: -0.065 local terms energy: -23.275583 where: bonds (distance) C4'-P energy: -4.404 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: -58921.669 (S_DIST_RNA) chem. 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: -58809.466570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58809.466570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.537748 (E_RNA) where: Base-Base interactions energy: -59.236 where: short stacking energy: -18.606 Base-Backbone interact. energy: 2.491 local terms energy: -22.792561 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -4.730 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: -58729.929 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -59088.622788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59088.622788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.105689 (E_RNA) where: Base-Base interactions energy: -59.055 where: short stacking energy: -22.204 Base-Backbone interact. energy: -0.332 local terms energy: -28.718564 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: -59000.517 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -58985.218109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58985.218109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.403992 (E_RNA) where: Base-Base interactions energy: -52.519 where: short stacking energy: -25.005 Base-Backbone interact. energy: -0.154 local terms energy: -28.731125 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -1.532 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: -58903.814 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -59443.534303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59443.534303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.641452 (E_RNA) where: Base-Base interactions energy: -66.185 where: short stacking energy: -31.839 Base-Backbone interact. energy: -0.791 local terms energy: -33.665805 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -8.829 Dist. restrs. and SS energy: -59342.893 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -59276.731530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59276.731530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.020814 (E_RNA) where: Base-Base interactions energy: -60.453 where: short stacking energy: -26.355 Base-Backbone interact. energy: -0.001 local terms energy: -34.567609 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: -59181.711 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -59016.520759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59016.520759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.331325 (E_RNA) where: Base-Base interactions energy: -71.000 where: short stacking energy: -33.266 Base-Backbone interact. energy: -0.000 local terms energy: -34.330731 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: -58911.189 (S_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: -59509.745840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59509.745840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.798573 (E_RNA) where: Base-Base interactions energy: -70.393 where: short stacking energy: -34.104 Base-Backbone interact. energy: -0.000 local terms energy: -29.405567 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -4.556 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -0.280 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: -59409.947 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -58910.870978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58910.870978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.735500 (E_RNA) where: Base-Base interactions energy: -59.887 where: short stacking energy: -28.778 Base-Backbone interact. energy: 0.034 local terms energy: -30.882111 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -6.373 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: -58820.135 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -59173.940846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59173.940846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.615494 (E_RNA) where: Base-Base interactions energy: -61.310 where: short stacking energy: -31.412 Base-Backbone interact. energy: -0.851 local terms energy: -34.454782 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -8.689 Dist. restrs. and SS energy: -59077.325 (S_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: 395 Temperature: 1.200000 Total energy: -58878.121059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58878.121059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.487578 (E_RNA) where: Base-Base interactions energy: -62.257 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.000 local terms energy: -29.230119 where: bonds (distance) C4'-P energy: -4.844 bonds (distance) P-C4' energy: -6.257 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: -58786.633 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -59246.669786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59246.669786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.514986 (E_RNA) where: Base-Base interactions energy: -67.682 where: short stacking energy: -34.429 Base-Backbone interact. energy: -0.002 local terms energy: -20.831159 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -1.673 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: 0.316 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: -59158.155 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -59074.362902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59074.362902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.142634 (E_RNA) where: Base-Base interactions energy: -62.187 where: short stacking energy: -27.967 Base-Backbone interact. energy: -0.028 local terms energy: -25.927041 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.128 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -0.143 tors. eta vs tors. theta energy: -8.382 Dist. restrs. and SS energy: -58986.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -59147.177763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59147.177763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.135585 (E_RNA) where: Base-Base interactions energy: -55.422 where: short stacking energy: -26.820 Base-Backbone interact. energy: -0.000 local terms energy: -31.713228 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -7.056 Dist. restrs. and SS energy: -59060.042 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -59547.324899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59547.324899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.492042 (E_RNA) where: Base-Base interactions energy: -69.703 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.176 local terms energy: -34.612493 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -7.716 Dist. restrs. and SS energy: -59442.833 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -59387.313381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59387.313381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.341700 (E_RNA) where: Base-Base interactions energy: -68.691 where: short stacking energy: -36.794 Base-Backbone interact. energy: -0.000 local terms energy: -35.650279 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: -59282.972 (S_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: 396 Temperature: 1.000000 Total energy: -59629.033972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59629.033972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.947852 (E_RNA) where: Base-Base interactions energy: -72.561 where: short stacking energy: -26.239 Base-Backbone interact. energy: -0.018 local terms energy: -29.369433 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: -59527.086 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -59131.658956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59131.658956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.872437 (E_RNA) where: Base-Base interactions energy: -65.094 where: short stacking energy: -27.319 Base-Backbone interact. energy: -0.122 local terms energy: -33.656734 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -7.917 Dist. restrs. and SS energy: -59032.787 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -59288.424921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59288.424921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.290387 (E_RNA) where: Base-Base interactions energy: -68.782 where: short stacking energy: -32.646 Base-Backbone interact. energy: -0.000 local terms energy: -34.507995 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: -59185.135 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -59080.875031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59080.875031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.496693 (E_RNA) where: Base-Base interactions energy: -61.155 where: short stacking energy: -32.109 Base-Backbone interact. energy: -0.000 local terms energy: -35.340924 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -9.348 Dist. restrs. and SS energy: -58984.378 (S_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: 396 Temperature: 1.200000 Total energy: -59404.301367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59404.301367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.806374 (E_RNA) where: Base-Base interactions energy: -66.612 where: short stacking energy: -29.464 Base-Backbone interact. energy: -0.001 local terms energy: -34.194014 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: -59303.495 (S_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: 396 Temperature: 1.250000 Total energy: -59043.139083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59043.139083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.621026 (E_RNA) where: Base-Base interactions energy: -60.257 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.130 local terms energy: -17.233130 where: bonds (distance) C4'-P energy: -3.212 bonds (distance) P-C4' energy: -4.512 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: 0.415 Dist. restrs. and SS energy: -58965.518 (S_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: 396 Temperature: 1.300000 Total energy: -59343.686461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59343.686461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.638439 (E_RNA) where: Base-Base interactions energy: -64.976 where: short stacking energy: -27.437 Base-Backbone interact. energy: -0.017 local terms energy: -21.645061 where: bonds (distance) C4'-P energy: -2.926 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.179 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: -59257.048 (S_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: 396 Temperature: 1.350000 Total energy: -59340.268008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59340.268008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.956323 (E_RNA) where: Base-Base interactions energy: -52.882 where: short stacking energy: -24.814 Base-Backbone interact. energy: -0.575 local terms energy: -22.499384 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: -59264.312 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -59670.519450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59670.519450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.910267 (E_RNA) where: Base-Base interactions energy: -65.965 where: short stacking energy: -30.420 Base-Backbone interact. energy: -0.007 local terms energy: -30.938601 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: -59573.609 (S_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: 397 Temperature: 0.950000 Total energy: -59739.991066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59739.991066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.956145 (E_RNA) where: Base-Base interactions energy: -60.723 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.002 local terms energy: -30.231657 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -7.799 Dist. restrs. and SS energy: -59649.035 (S_DIST_RNA) chem. 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: -59500.186816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59500.186816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.313550 (E_RNA) where: Base-Base interactions energy: -70.042 where: short stacking energy: -35.628 Base-Backbone interact. energy: -0.907 local terms energy: -33.363792 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -6.691 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: -59395.873 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -59421.938077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59421.938077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.348677 (E_RNA) where: Base-Base interactions energy: -65.715 where: short stacking energy: -32.778 Base-Backbone interact. energy: -0.354 local terms energy: -35.279388 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: -59320.589 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -59250.236595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59250.236595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.891544 (E_RNA) where: Base-Base interactions energy: -70.122 where: short stacking energy: -31.178 Base-Backbone interact. energy: -0.000 local terms energy: -36.769715 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -9.044 Dist. restrs. and SS energy: -59143.345 (S_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: 397 Temperature: 1.150000 Total energy: -59548.765682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59548.765682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.872579 (E_RNA) where: Base-Base interactions energy: -63.032 where: short stacking energy: -23.816 Base-Backbone interact. energy: -0.001 local terms energy: -28.839890 where: bonds (distance) C4'-P energy: -2.956 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: -59456.893 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -59222.923661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59222.923661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.856207 (E_RNA) where: Base-Base interactions energy: -61.655 where: short stacking energy: -21.969 Base-Backbone interact. energy: -0.151 local terms energy: -28.050888 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -4.483 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: -59133.067 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -59505.528064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59505.528064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.818243 (E_RNA) where: Base-Base interactions energy: -56.258 where: short stacking energy: -23.539 Base-Backbone interact. energy: -0.046 local terms energy: -32.514407 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: -59416.710 (S_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: 397 Temperature: 1.300000 Total energy: -59225.389815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59225.389815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.352176 (E_RNA) where: Base-Base interactions energy: -59.211 where: short stacking energy: -24.070 Base-Backbone interact. energy: -0.081 local terms energy: -26.059848 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -2.766 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -5.600 Dist. restrs. and SS energy: -59140.038 (S_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: 397 Temperature: 1.350000 Total energy: -59509.384900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59509.384900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.666831 (E_RNA) where: Base-Base interactions energy: -62.980 where: short stacking energy: -19.943 Base-Backbone interact. energy: -0.014 local terms energy: -22.672689 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: -59423.718 (S_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: 398 Temperature: 0.900000 Total energy: -59833.060370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59833.060370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.808669 (E_RNA) where: Base-Base interactions energy: -66.850 where: short stacking energy: -29.526 Base-Backbone interact. energy: -0.001 local terms energy: -29.957456 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: -59736.252 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -59772.879462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59772.879462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.931617 (E_RNA) where: Base-Base interactions energy: -65.270 where: short stacking energy: -31.086 Base-Backbone interact. energy: -1.054 local terms energy: -31.608132 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -1.994 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: -59674.948 (S_DIST_RNA) chem. 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: -59611.893561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59611.893561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.760496 (E_RNA) where: Base-Base interactions energy: -70.089 where: short stacking energy: -37.192 Base-Backbone interact. energy: -0.001 local terms energy: -34.670454 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -6.300 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: -59507.133 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -59523.483361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59523.483361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.193588 (E_RNA) where: Base-Base interactions energy: -68.829 where: short stacking energy: -22.505 Base-Backbone interact. energy: -0.002 local terms energy: -27.362918 where: bonds (distance) C4'-P energy: -7.678 bonds (distance) P-C4' energy: -5.355 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: -59427.290 (S_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: 398 Temperature: 1.100000 Total energy: -59696.238609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59696.238609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.376624 (E_RNA) where: Base-Base interactions energy: -64.430 where: short stacking energy: -33.135 Base-Backbone interact. energy: -0.000 local terms energy: -31.946232 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -8.986 Dist. restrs. and SS energy: -59599.862 (S_DIST_RNA) chem. 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: -59365.979983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59365.979983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.837752 (E_RNA) where: Base-Base interactions energy: -62.265 where: short stacking energy: -24.385 Base-Backbone interact. energy: -0.006 local terms energy: -28.566277 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -6.121 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: -59275.142 (S_DIST_RNA) chem. 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: -59648.701205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59648.701205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.407489 (E_RNA) where: Base-Base interactions energy: -65.860 where: short stacking energy: -29.946 Base-Backbone interact. energy: -0.000 local terms energy: -34.547315 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -9.147 Dist. restrs. and SS energy: -59548.294 (S_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: 398 Temperature: 1.250000 Total energy: -59374.203713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59374.203713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.872262 (E_RNA) where: Base-Base interactions energy: -57.817 where: short stacking energy: -27.153 Base-Backbone interact. energy: -0.001 local terms energy: -40.054155 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -9.894 Dist. restrs. and SS energy: -59276.331 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -59720.094265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59720.094265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.472273 (E_RNA) where: Base-Base interactions energy: -62.483 where: short stacking energy: -22.684 Base-Backbone interact. energy: -0.063 local terms energy: -30.926859 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.025 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: -59626.622 (S_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: 398 Temperature: 1.350000 Total energy: -59381.695383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59381.695383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.540855 (E_RNA) where: Base-Base interactions energy: -55.055 where: short stacking energy: -21.520 Base-Backbone interact. energy: -0.161 local terms energy: -32.324220 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: -59294.155 (S_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: 399 Temperature: 0.900000 Total energy: -59921.724754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59921.724754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.386375 (E_RNA) where: Base-Base interactions energy: -74.943 where: short stacking energy: -35.741 Base-Backbone interact. energy: -0.001 local terms energy: -34.442622 where: bonds (distance) C4'-P energy: -3.233 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -9.553 Dist. restrs. and SS energy: -59812.338 (S_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: 399 Temperature: 0.950000 Total energy: -59892.126507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59892.126507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.237361 (E_RNA) where: Base-Base interactions energy: -66.368 where: short stacking energy: -32.506 Base-Backbone interact. energy: -1.620 local terms energy: -36.248967 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: -59787.889 (S_DIST_RNA) chem. 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: -59723.748633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59723.748633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.347601 (E_RNA) where: Base-Base interactions energy: -64.671 where: short stacking energy: -34.896 Base-Backbone interact. energy: -0.001 local terms energy: -39.675906 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -9.351 Dist. restrs. and SS energy: -59619.401 (S_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: 399 Temperature: 1.050000 Total energy: -59837.318474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59837.318474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.286902 (E_RNA) where: Base-Base interactions energy: -66.151 where: short stacking energy: -30.922 Base-Backbone interact. energy: -0.001 local terms energy: -26.135368 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: -59745.032 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -59659.360105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59659.360105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.858456 (E_RNA) where: Base-Base interactions energy: -65.133 where: short stacking energy: -33.913 Base-Backbone interact. energy: -0.348 local terms energy: -34.377823 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -9.465 Dist. restrs. and SS energy: -59559.502 (S_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: 399 Temperature: 1.150000 Total energy: -59837.735512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59837.735512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.515397 (E_RNA) where: Base-Base interactions energy: -60.234 where: short stacking energy: -22.157 Base-Backbone interact. energy: 0.581 local terms energy: -27.862422 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -0.511 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: -59750.220 (S_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: 399 Temperature: 1.200000 Total energy: -59492.477424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59492.477424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.793508 (E_RNA) where: Base-Base interactions energy: -60.562 where: short stacking energy: -32.010 Base-Backbone interact. energy: -0.000 local terms energy: -35.231344 where: bonds (distance) C4'-P energy: -4.094 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -10.115 Dist. restrs. and SS energy: -59396.684 (S_DIST_RNA) chem. 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: -59866.336721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59866.336721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.226276 (E_RNA) where: Base-Base interactions energy: -63.930 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.042 local terms energy: -30.254046 where: bonds (distance) C4'-P energy: -5.390 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: -59772.110 (S_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: -59506.773168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59506.773168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.336046 (E_RNA) where: Base-Base interactions energy: -60.577 where: short stacking energy: -21.781 Base-Backbone interact. energy: -0.019 local terms energy: -23.740278 where: bonds (distance) C4'-P energy: -3.750 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: -59422.437 (S_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: 399 Temperature: 1.350000 Total energy: -59555.388336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59555.388336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.826253 (E_RNA) where: Base-Base interactions energy: -55.914 where: short stacking energy: -19.823 Base-Backbone interact. energy: -1.018 local terms energy: -28.895041 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: -59469.562 (S_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: 400 Temperature: 0.900000 Total energy: -60032.812024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60032.812024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.690129 (E_RNA) where: Base-Base interactions energy: -65.041 where: short stacking energy: -31.359 Base-Backbone interact. energy: -0.468 local terms energy: -34.180682 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -1.783 tors. eta vs tors. theta energy: -8.471 Dist. restrs. and SS energy: -59933.122 (S_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: 400 Temperature: 0.950000 Total energy: -60008.901123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60008.901123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.881513 (E_RNA) where: Base-Base interactions energy: -73.170 where: short stacking energy: -31.541 Base-Backbone interact. energy: -0.000 local terms energy: -30.711265 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -7.783 Dist. restrs. and SS energy: -59905.020 (S_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: 400 Temperature: 1.000000 Total energy: -59935.816456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59935.816456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.036224 (E_RNA) where: Base-Base interactions energy: -67.801 where: short stacking energy: -32.990 Base-Backbone interact. energy: -0.004 local terms energy: -31.230471 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: -59836.780 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -59848.240596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59848.240596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.762441 (E_RNA) where: Base-Base interactions energy: -56.835 where: short stacking energy: -28.370 Base-Backbone interact. energy: -0.000 local terms energy: -34.927700 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: -59756.478 (S_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: 400 Temperature: 1.100000 Total energy: -59965.375479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59965.375479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.672575 (E_RNA) where: Base-Base interactions energy: -59.732 where: short stacking energy: -26.465 Base-Backbone interact. energy: -0.576 local terms energy: -34.364274 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -8.769 Dist. restrs. and SS energy: -59870.703 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -59788.068789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59788.068789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.220360 (E_RNA) where: Base-Base interactions energy: -58.927 where: short stacking energy: -27.879 Base-Backbone interact. energy: -0.001 local terms energy: -32.292515 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: -59696.848 (S_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: 400 Temperature: 1.200000 Total energy: -59990.063379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59990.063379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.071916 (E_RNA) where: Base-Base interactions energy: -67.070 where: short stacking energy: -24.361 Base-Backbone interact. energy: -0.001 local terms energy: -29.001254 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -6.058 Dist. restrs. and SS energy: -59893.991 (S_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: 400 Temperature: 1.250000 Total energy: -59623.763349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59623.763349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.924864 (E_RNA) where: Base-Base interactions energy: -64.347 where: short stacking energy: -26.743 Base-Backbone interact. energy: -1.005 local terms energy: -36.573283 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: -59521.838 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -59701.357823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59701.357823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.438972 (E_RNA) where: Base-Base interactions energy: -57.434 where: short stacking energy: -19.444 Base-Backbone interact. energy: -0.028 local terms energy: -23.977477 where: bonds (distance) C4'-P energy: -4.212 bonds (distance) P-C4' energy: -7.730 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: -59619.919 (S_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: 400 Temperature: 1.350000 Total energy: -59709.545871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59709.545871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.640919 (E_RNA) where: Base-Base interactions energy: -62.053 where: short stacking energy: -28.143 Base-Backbone interact. energy: -0.004 local terms energy: -26.583890 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -2.449 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: -59620.905 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/random_loop-2291cf24_01 nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt nucl1: 2, chain1: A, <---> nucl2: 5, chain2: A type of interaction: GA_WHt DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -60135.031556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60135.031556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.080066 (E_RNA) where: Base-Base interactions energy: -67.334 where: short stacking energy: -34.014 Base-Backbone interact. energy: -1.017 local terms energy: -35.728181 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -9.023 Dist. restrs. and SS energy: -60030.951 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -60114.732348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60114.732348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.947503 (E_RNA) where: Base-Base interactions energy: -69.650 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.004 local terms energy: -25.294013 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -1.012 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: -60019.785 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -60054.489546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60054.489546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.713541 (E_RNA) where: Base-Base interactions energy: -63.640 where: short stacking energy: -26.129 Base-Backbone interact. energy: -0.247 local terms energy: -31.826568 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: -59958.776 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -60075.680048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60075.680048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.062884 (E_RNA) where: Base-Base interactions energy: -63.037 where: short stacking energy: -30.980 Base-Backbone interact. energy: -0.517 local terms energy: -31.507981 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: -59980.617 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -59984.603147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59984.603147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.163536 (E_RNA) where: Base-Base interactions energy: -56.545 where: short stacking energy: -14.891 Base-Backbone interact. energy: -0.063 local terms energy: -26.555988 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: -59901.440 (S_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: 401 Temperature: 1.150000 Total energy: -60110.910674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60110.910674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.844184 (E_RNA) where: Base-Base interactions energy: -58.362 where: short stacking energy: -28.383 Base-Backbone interact. energy: -1.454 local terms energy: -34.027560 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: -60017.066 (S_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: 401 Temperature: 1.200000 Total energy: -59939.936730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59939.936730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.716904 (E_RNA) where: Base-Base interactions energy: -67.433 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.033 local terms energy: -34.251039 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -6.598 Dist. restrs. and SS energy: -59838.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -59885.018816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59885.018816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.921999 (E_RNA) where: Base-Base interactions energy: -63.539 where: short stacking energy: -26.630 Base-Backbone interact. energy: -1.154 local terms energy: -31.228714 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: -59789.097 (S_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: 401 Temperature: 1.300000 Total energy: -59817.843028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59817.843028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.554331 (E_RNA) where: Base-Base interactions energy: -59.789 where: short stacking energy: -28.226 Base-Backbone interact. energy: -0.909 local terms energy: -37.855871 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: -59719.289 (S_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: 401 Temperature: 1.350000 Total energy: -59925.400432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59925.400432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.761568 (E_RNA) where: Base-Base interactions energy: -56.396 where: short stacking energy: -27.173 Base-Backbone interact. energy: -0.004 local terms energy: -30.361867 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -2.839 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -8.447 Dist. restrs. and SS energy: -59838.639 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -60196.580245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60196.580245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.067030 (E_RNA) where: Base-Base interactions energy: -81.554 where: short stacking energy: -23.710 Base-Backbone interact. energy: -0.025 local terms energy: -31.487923 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -5.847 Dist. restrs. and SS energy: -60083.513 (S_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: 402 Temperature: 0.950000 Total energy: -60239.826231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60239.826231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.152875 (E_RNA) where: Base-Base interactions energy: -64.961 where: short stacking energy: -27.550 Base-Backbone interact. energy: -0.875 local terms energy: -33.317015 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: -60140.673 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -60180.408092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60180.408092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.448575 (E_RNA) where: Base-Base interactions energy: -63.422 where: short stacking energy: -27.780 Base-Backbone interact. energy: -0.002 local terms energy: -33.024450 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -5.984 Dist. restrs. and SS energy: -60083.960 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -60180.699357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60180.699357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.256583 (E_RNA) where: Base-Base interactions energy: -61.552 where: short stacking energy: -29.168 Base-Backbone interact. energy: -0.000 local terms energy: -34.704366 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -7.661 Dist. restrs. and SS energy: -60084.443 (S_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: 402 Temperature: 1.100000 Total energy: -60286.901278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60286.901278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.834885 (E_RNA) where: Base-Base interactions energy: -60.575 where: short stacking energy: -23.129 Base-Backbone interact. energy: -0.004 local terms energy: -25.256038 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: -60201.066 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -60179.617075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60179.617075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.991165 (E_RNA) where: Base-Base interactions energy: -70.253 where: short stacking energy: -37.617 Base-Backbone interact. energy: -0.000 local terms energy: -32.737635 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -8.447 Dist. restrs. and SS energy: -60076.626 (S_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: 402 Temperature: 1.200000 Total energy: -60075.092871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60075.092871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.015650 (E_RNA) where: Base-Base interactions energy: -63.539 where: short stacking energy: -23.278 Base-Backbone interact. energy: -0.002 local terms energy: -27.474989 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -2.439 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: -59984.077 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -60027.029710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60027.029710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.451421 (E_RNA) where: Base-Base interactions energy: -52.548 where: short stacking energy: -21.716 Base-Backbone interact. energy: 0.165 local terms energy: -24.068951 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -3.233 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: -59950.578 (S_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: -60070.919582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60070.919582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.739600 (E_RNA) where: Base-Base interactions energy: -57.417 where: short stacking energy: -27.872 Base-Backbone interact. energy: -0.022 local terms energy: -25.301351 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -3.642 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: -59988.180 (S_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: 402 Temperature: 1.350000 Total energy: -59945.536201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59945.536201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.601365 (E_RNA) where: Base-Base interactions energy: -50.349 where: short stacking energy: -18.993 Base-Backbone interact. energy: -0.015 local terms energy: -30.236787 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -3.931 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: -59864.935 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -60263.955798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60263.955798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.414726 (E_RNA) where: Base-Base interactions energy: -67.138 where: short stacking energy: -36.443 Base-Backbone interact. energy: -1.183 local terms energy: -39.093471 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: -60156.541 (S_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: 403 Temperature: 0.950000 Total energy: -60374.048888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60374.048888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.144093 (E_RNA) where: Base-Base interactions energy: -65.968 where: short stacking energy: -26.504 Base-Backbone interact. energy: -0.004 local terms energy: -34.172657 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.156 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -7.356 Dist. restrs. and SS energy: -60273.905 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -60276.488462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60276.488462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.455913 (E_RNA) where: Base-Base interactions energy: -70.083 where: short stacking energy: -24.540 Base-Backbone interact. energy: -0.003 local terms energy: -24.369556 where: bonds (distance) C4'-P energy: -3.043 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: -60182.033 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -60453.735396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60453.735396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.368691 (E_RNA) where: Base-Base interactions energy: -64.341 where: short stacking energy: -26.917 Base-Backbone interact. energy: -0.010 local terms energy: -31.017669 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -2.225 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: -60358.367 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -60295.440845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60295.440845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.482787 (E_RNA) where: Base-Base interactions energy: -65.095 where: short stacking energy: -26.684 Base-Backbone interact. energy: -0.000 local terms energy: -37.387880 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: -60192.958 (S_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: 403 Temperature: 1.150000 Total energy: -60311.858454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60311.858454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.607464 (E_RNA) where: Base-Base interactions energy: -66.567 where: short stacking energy: -32.575 Base-Backbone interact. energy: -0.001 local terms energy: -29.039445 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -8.669 Dist. restrs. and SS energy: -60216.251 (S_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: 403 Temperature: 1.200000 Total energy: -60233.995715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60233.995715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.312521 (E_RNA) where: Base-Base interactions energy: -62.362 where: short stacking energy: -26.625 Base-Backbone interact. energy: -0.000 local terms energy: -30.949821 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: -60140.683 (S_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: 403 Temperature: 1.250000 Total energy: -60223.227700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60223.227700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.095529 (E_RNA) where: Base-Base interactions energy: -62.932 where: short stacking energy: -33.917 Base-Backbone interact. energy: -1.053 local terms energy: -37.110638 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: -60122.132 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -60241.335139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60241.335139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.346582 (E_RNA) where: Base-Base interactions energy: -68.609 where: short stacking energy: -26.677 Base-Backbone interact. energy: -0.000 local terms energy: -25.737766 where: bonds (distance) C4'-P energy: -3.022 bonds (distance) P-C4' energy: -4.834 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: -60146.989 (S_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: 403 Temperature: 1.350000 Total energy: -60138.398419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60138.398419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.875297 (E_RNA) where: Base-Base interactions energy: -62.452 where: short stacking energy: -30.677 Base-Backbone interact. energy: -0.000 local terms energy: -35.422534 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -7.462 Dist. restrs. and SS energy: -60040.523 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -60463.758373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60463.758373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.145782 (E_RNA) where: Base-Base interactions energy: -64.372 where: short stacking energy: -32.771 Base-Backbone interact. energy: -0.009 local terms energy: -34.764113 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -9.330 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: -60364.613 (S_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: 404 Temperature: 0.950000 Total energy: -60400.191453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60400.191453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.433166 (E_RNA) where: Base-Base interactions energy: -65.491 where: short stacking energy: -34.356 Base-Backbone interact. energy: -0.003 local terms energy: -31.938709 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -9.293 Dist. restrs. and SS energy: -60302.758 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -60557.940438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60557.940438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.414436 (E_RNA) where: Base-Base interactions energy: -69.333 where: short stacking energy: -24.626 Base-Backbone interact. energy: -0.671 local terms energy: -31.410933 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -8.002 Dist. restrs. and SS energy: -60456.526 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -60398.912588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60398.912588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.704123 (E_RNA) where: Base-Base interactions energy: -69.346 where: short stacking energy: -32.209 Base-Backbone interact. energy: -0.000 local terms energy: -35.358250 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: -60294.208 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -60453.464737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60453.464737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.014551 (E_RNA) where: Base-Base interactions energy: -66.360 where: short stacking energy: -32.836 Base-Backbone interact. energy: -1.320 local terms energy: -32.335265 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -8.001 Dist. restrs. and SS energy: -60353.450 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -60424.292009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60424.292009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.569721 (E_RNA) where: Base-Base interactions energy: -60.613 where: short stacking energy: -23.132 Base-Backbone interact. energy: -0.036 local terms energy: -34.921070 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: -60328.722 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -60405.951208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60405.951208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.191749 (E_RNA) where: Base-Base interactions energy: -56.417 where: short stacking energy: -20.036 Base-Backbone interact. energy: -0.289 local terms energy: -25.485317 where: bonds (distance) C4'-P energy: -3.092 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -5.252 Dist. restrs. and SS energy: -60323.759 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -60384.644373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60384.644373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.908266 (E_RNA) where: Base-Base interactions energy: -62.621 where: short stacking energy: -22.008 Base-Backbone interact. energy: -0.007 local terms energy: -24.280721 where: bonds (distance) C4'-P energy: -3.295 bonds (distance) P-C4' energy: -7.322 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -0.503 tors. eta vs tors. theta energy: -7.314 Dist. restrs. and SS energy: -60297.736 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -60402.011313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60402.011313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.494906 (E_RNA) where: Base-Base interactions energy: -64.144 where: short stacking energy: -24.090 Base-Backbone interact. energy: 0.053 local terms energy: -32.404418 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: -60305.516 (S_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: 404 Temperature: 1.350000 Total energy: -60351.661965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60351.661965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.312033 (E_RNA) where: Base-Base interactions energy: -61.182 where: short stacking energy: -29.262 Base-Backbone interact. energy: -0.263 local terms energy: -22.866754 where: bonds (distance) C4'-P energy: -1.875 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: -60267.350 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -60550.155233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60550.155233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.243845 (E_RNA) where: Base-Base interactions energy: -65.256 where: short stacking energy: -33.265 Base-Backbone interact. energy: -0.684 local terms energy: -37.303399 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: -60446.911 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -60667.132840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60667.132840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.815168 (E_RNA) where: Base-Base interactions energy: -67.954 where: short stacking energy: -24.089 Base-Backbone interact. energy: -0.001 local terms energy: -34.860285 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -7.924 Dist. restrs. and SS energy: -60564.318 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -60510.071840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60510.071840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.247794 (E_RNA) where: Base-Base interactions energy: -62.845 where: short stacking energy: -24.667 Base-Backbone interact. energy: -0.221 local terms energy: -33.181653 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: -60413.824 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -60607.230474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60607.230474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.557853 (E_RNA) where: Base-Base interactions energy: -65.791 where: short stacking energy: -32.379 Base-Backbone interact. energy: -0.000 local terms energy: -34.766147 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -6.037 Dist. restrs. and SS energy: -60506.673 (S_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: 405 Temperature: 1.100000 Total energy: -60534.653900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60534.653900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.968391 (E_RNA) where: Base-Base interactions energy: -67.127 where: short stacking energy: -26.530 Base-Backbone interact. energy: -0.005 local terms energy: -34.836327 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: -60432.686 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -60611.479648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60611.479648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.129764 (E_RNA) where: Base-Base interactions energy: -61.383 where: short stacking energy: -25.833 Base-Backbone interact. energy: -0.001 local terms energy: -30.745933 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: -60519.350 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -60558.871030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60558.871030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.164560 (E_RNA) where: Base-Base interactions energy: -63.362 where: short stacking energy: -25.357 Base-Backbone interact. energy: -0.002 local terms energy: -24.800944 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -2.100 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: -60470.706 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -60576.296035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60576.296035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.319811 (E_RNA) where: Base-Base interactions energy: -63.494 where: short stacking energy: -22.272 Base-Backbone interact. energy: -0.011 local terms energy: -25.814959 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -1.772 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: -60486.976 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -60675.099230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60675.099230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.314668 (E_RNA) where: Base-Base interactions energy: -47.691 where: short stacking energy: -18.783 Base-Backbone interact. energy: 1.543 local terms energy: -26.167011 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: -60602.785 (S_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: 405 Temperature: 1.350000 Total energy: -60536.018412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60536.018412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.081907 (E_RNA) where: Base-Base interactions energy: -61.777 where: short stacking energy: -28.762 Base-Backbone interact. energy: 2.665 local terms energy: -28.970179 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: -60447.937 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -60741.671427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60741.671427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.654048 (E_RNA) where: Base-Base interactions energy: -70.782 where: short stacking energy: -33.547 Base-Backbone interact. energy: -0.001 local terms energy: -26.871595 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -0.007 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: -60644.017 (S_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: 406 Temperature: 0.950000 Total energy: -60682.377695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60682.377695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.880866 (E_RNA) where: Base-Base interactions energy: -58.032 where: short stacking energy: -28.494 Base-Backbone interact. energy: 0.744 local terms energy: -39.592741 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: -60585.497 (S_DIST_RNA) chem. 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: -60721.416075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60721.416075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.125219 (E_RNA) where: Base-Base interactions energy: -65.972 where: short stacking energy: -33.589 Base-Backbone interact. energy: -0.366 local terms energy: -31.787673 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -1.080 tors. eta vs tors. theta energy: -9.700 Dist. restrs. and SS energy: -60623.291 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -60647.999151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60647.999151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.222552 (E_RNA) where: Base-Base interactions energy: -68.511 where: short stacking energy: -34.316 Base-Backbone interact. energy: -0.000 local terms energy: -37.711497 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: -60541.777 (S_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: 406 Temperature: 1.100000 Total energy: -60770.717250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60770.717250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.727528 (E_RNA) where: Base-Base interactions energy: -65.473 where: short stacking energy: -31.393 Base-Backbone interact. energy: -0.002 local terms energy: -33.252282 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -8.448 Dist. restrs. and SS energy: -60671.990 (S_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: 406 Temperature: 1.150000 Total energy: -60648.296125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60648.296125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.513157 (E_RNA) where: Base-Base interactions energy: -64.156 where: short stacking energy: -23.500 Base-Backbone interact. energy: -0.008 local terms energy: -29.349606 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: -60554.783 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -60706.548273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60706.548273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.423760 (E_RNA) where: Base-Base interactions energy: -58.628 where: short stacking energy: -25.766 Base-Backbone interact. energy: -0.661 local terms energy: -26.134533 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: -60621.125 (S_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: 406 Temperature: 1.250000 Total energy: -60737.069907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60737.069907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.106518 (E_RNA) where: Base-Base interactions energy: -55.649 where: short stacking energy: -25.720 Base-Backbone interact. energy: -0.003 local terms energy: -29.454682 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -1.287 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: -60651.963 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -60903.404542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60903.404542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.848726 (E_RNA) where: Base-Base interactions energy: -65.820 where: short stacking energy: -16.695 Base-Backbone interact. energy: -0.051 local terms energy: -22.978112 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: -60814.556 (S_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: 406 Temperature: 1.350000 Total energy: -60734.839241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60734.839241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.864008 (E_RNA) where: Base-Base interactions energy: -64.434 where: short stacking energy: -34.537 Base-Backbone interact. energy: -0.001 local terms energy: -26.428552 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -7.841 Dist. restrs. and SS energy: -60643.975 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -60876.138220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60876.138220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.490906 (E_RNA) where: Base-Base interactions energy: -66.647 where: short stacking energy: -30.722 Base-Backbone interact. energy: -0.026 local terms energy: -34.817695 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -9.249 Dist. restrs. and SS energy: -60774.647 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -60841.626050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60841.626050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.713720 (E_RNA) where: Base-Base interactions energy: -67.503 where: short stacking energy: -34.825 Base-Backbone interact. energy: -0.001 local terms energy: -29.209380 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -2.486 tors. eta vs tors. theta energy: -8.703 Dist. restrs. and SS energy: -60744.912 (S_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: 407 Temperature: 1.000000 Total energy: -60801.577424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60801.577424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.699626 (E_RNA) where: Base-Base interactions energy: -71.734 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.000 local terms energy: -31.965291 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: -60697.878 (S_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: 407 Temperature: 1.050000 Total energy: -60882.750935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60882.750935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.447182 (E_RNA) where: Base-Base interactions energy: -61.336 where: short stacking energy: -31.075 Base-Backbone interact. energy: -1.222 local terms energy: -32.888978 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: -60787.304 (S_DIST_RNA) chem. 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: -60743.394505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60743.394505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.840878 (E_RNA) where: Base-Base interactions energy: -68.189 where: short stacking energy: -33.162 Base-Backbone interact. energy: -0.000 local terms energy: -26.651467 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: 0.660 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: -60648.554 (S_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: 407 Temperature: 1.150000 Total energy: -60835.916184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60835.916184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.157497 (E_RNA) where: Base-Base interactions energy: -59.317 where: short stacking energy: -25.080 Base-Backbone interact. energy: -0.633 local terms energy: -31.206995 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: -60744.759 (S_DIST_RNA) chem. 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: -60796.133876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60796.133876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.130705 (E_RNA) where: Base-Base interactions energy: -64.998 where: short stacking energy: -25.153 Base-Backbone interact. energy: -0.402 local terms energy: -27.731189 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -5.174 Dist. restrs. and SS energy: -60703.003 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -61038.724278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61038.724278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.967864 (E_RNA) where: Base-Base interactions energy: -63.933 where: short stacking energy: -32.963 Base-Backbone interact. energy: -1.776 local terms energy: -36.259024 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -3.983 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -9.750 Dist. restrs. and SS energy: -60936.756 (S_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: -60924.945192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60924.945192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.512599 (E_RNA) where: Base-Base interactions energy: -58.372 where: short stacking energy: -26.717 Base-Backbone interact. energy: -0.001 local terms energy: -23.139581 where: bonds (distance) C4'-P energy: -4.368 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -2.219 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: -60843.433 (S_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: 407 Temperature: 1.350000 Total energy: -61052.221423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61052.221423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.512848 (E_RNA) where: Base-Base interactions energy: -61.412 where: short stacking energy: -26.113 Base-Backbone interact. energy: -0.008 local terms energy: -21.093103 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: -60969.709 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -60969.945198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60969.945198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.510042 (E_RNA) where: Base-Base interactions energy: -67.818 where: short stacking energy: -34.344 Base-Backbone interact. energy: -0.908 local terms energy: -38.783755 where: bonds (distance) C4'-P energy: -9.252 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -8.035 Dist. restrs. and SS energy: -60862.435 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -60940.513457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60940.513457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.807454 (E_RNA) where: Base-Base interactions energy: -68.162 where: short stacking energy: -28.458 Base-Backbone interact. energy: 0.349 local terms energy: -31.994107 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -8.173 Dist. restrs. and SS energy: -60840.706 (S_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: 408 Temperature: 1.000000 Total energy: -61000.386032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61000.386032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.966072 (E_RNA) where: Base-Base interactions energy: -52.064 where: short stacking energy: -20.020 Base-Backbone interact. energy: -0.000 local terms energy: -34.901342 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -8.740 Dist. restrs. and SS energy: -60913.420 (S_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: -60924.973962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60924.973962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.609585 (E_RNA) where: Base-Base interactions energy: -62.719 where: short stacking energy: -32.883 Base-Backbone interact. energy: -0.000 local terms energy: -36.889926 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: -60825.364 (S_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: 408 Temperature: 1.100000 Total energy: -60948.365555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60948.365555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.667694 (E_RNA) where: Base-Base interactions energy: -64.162 where: short stacking energy: -25.405 Base-Backbone interact. energy: 0.003 local terms energy: -27.508560 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: -60856.698 (S_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: -60858.156017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60858.156017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.558161 (E_RNA) where: Base-Base interactions energy: -73.454 where: short stacking energy: -20.400 Base-Backbone interact. energy: -0.057 local terms energy: -22.047459 where: bonds (distance) C4'-P energy: -3.700 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: -60762.598 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -61181.160781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61181.160781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.434313 (E_RNA) where: Base-Base interactions energy: -61.736 where: short stacking energy: -25.853 Base-Backbone interact. energy: -0.006 local terms energy: -28.692842 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: -61090.726 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -60945.474368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60945.474368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.506229 (E_RNA) where: Base-Base interactions energy: -66.387 where: short stacking energy: -19.059 Base-Backbone interact. energy: -0.005 local terms energy: -28.114677 where: bonds (distance) C4'-P energy: -6.996 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: -60850.968 (S_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: 408 Temperature: 1.300000 Total energy: -61434.577873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61434.577873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.392420 (E_RNA) where: Base-Base interactions energy: -56.023 where: short stacking energy: -24.929 Base-Backbone interact. energy: -0.444 local terms energy: -22.925366 where: bonds (distance) C4'-P energy: -2.007 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: -61355.185 (S_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: 408 Temperature: 1.350000 Total energy: -61128.631243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61128.631243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.239455 (E_RNA) where: Base-Base interactions energy: -59.435 where: short stacking energy: -27.853 Base-Backbone interact. energy: -0.007 local terms energy: -23.796945 where: bonds (distance) C4'-P energy: -1.282 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: -61045.392 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -61068.084537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61068.084537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.179063 (E_RNA) where: Base-Base interactions energy: -61.557 where: short stacking energy: -23.656 Base-Backbone interact. energy: -1.075 local terms energy: -34.546549 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: -60970.905 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -61132.998265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61132.998265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.888919 (E_RNA) where: Base-Base interactions energy: -71.948 where: short stacking energy: -33.408 Base-Backbone interact. energy: -0.000 local terms energy: -37.940699 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: -61023.109 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -61038.871213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61038.871213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.408486 (E_RNA) where: Base-Base interactions energy: -68.298 where: short stacking energy: -30.010 Base-Backbone interact. energy: -0.020 local terms energy: -32.091002 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -7.170 Dist. restrs. and SS energy: -60938.463 (S_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: 409 Temperature: 1.050000 Total energy: -61065.199989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61065.199989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.354434 (E_RNA) where: Base-Base interactions energy: -64.603 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.000 local terms energy: -31.751170 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -1.147 tors. eta vs tors. theta energy: -7.569 Dist. restrs. and SS energy: -60968.846 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -61047.884101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61047.884101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.167708 (E_RNA) where: Base-Base interactions energy: -65.292 where: short stacking energy: -27.208 Base-Backbone interact. energy: -0.004 local terms energy: -20.871846 where: bonds (distance) C4'-P energy: 0.906 bonds (distance) P-C4' energy: -3.480 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: -60961.716 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -61319.836599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61319.836599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.099075 (E_RNA) where: Base-Base interactions energy: -61.825 where: short stacking energy: -24.707 Base-Backbone interact. energy: -0.011 local terms energy: -28.262863 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: -61229.738 (S_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: 409 Temperature: 1.200000 Total energy: -60978.523639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60978.523639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.780615 (E_RNA) where: Base-Base interactions energy: -58.285 where: short stacking energy: -28.201 Base-Backbone interact. energy: -0.241 local terms energy: -32.254725 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: -60887.743 (S_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: 409 Temperature: 1.250000 Total energy: -61634.116245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61634.116245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.981336 (E_RNA) where: Base-Base interactions energy: -62.858 where: short stacking energy: -21.964 Base-Backbone interact. energy: 0.347 local terms energy: -28.470848 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: -61543.135 (S_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: 409 Temperature: 1.300000 Total energy: -61062.117853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61062.117853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.116104 (E_RNA) where: Base-Base interactions energy: -59.204 where: short stacking energy: -24.038 Base-Backbone interact. energy: -0.100 local terms energy: -31.812063 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -6.941 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -4.940 Dist. restrs. and SS energy: -60971.002 (S_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: 409 Temperature: 1.350000 Total energy: -61287.103674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61287.103674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.263901 (E_RNA) where: Base-Base interactions energy: -65.817 where: short stacking energy: -20.110 Base-Backbone interact. energy: -0.012 local terms energy: -2.434449 where: bonds (distance) C4'-P energy: -1.282 bonds (distance) P-C4' energy: 3.166 flat angles C4'-P-C4' energy: -2.733 flat angles P-C4'-P energy: 1.703 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: -61218.840 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -61236.838512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61236.838512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.577589 (E_RNA) where: Base-Base interactions energy: -68.461 where: short stacking energy: -33.643 Base-Backbone interact. energy: -1.053 local terms energy: -37.062954 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -7.404 Dist. restrs. and SS energy: -61130.261 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -61236.328046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61236.328046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.606078 (E_RNA) where: Base-Base interactions energy: -66.624 where: short stacking energy: -25.841 Base-Backbone interact. energy: -0.835 local terms energy: -31.147442 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: -61137.722 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -61162.771798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61162.771798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.043808 (E_RNA) where: Base-Base interactions energy: -68.321 where: short stacking energy: -22.292 Base-Backbone interact. energy: 1.546 local terms energy: -26.268190 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: -61069.728 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -61155.965984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61155.965984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.646678 (E_RNA) where: Base-Base interactions energy: -61.002 where: short stacking energy: -28.903 Base-Backbone interact. energy: -0.657 local terms energy: -31.987542 where: bonds (distance) C4'-P energy: -7.784 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: -61062.319 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -61444.767956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61444.767956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.934992 (E_RNA) where: Base-Base interactions energy: -63.890 where: short stacking energy: -23.491 Base-Backbone interact. energy: -0.002 local terms energy: -28.043065 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: -5.043 Dist. restrs. and SS energy: -61352.833 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -61171.881438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61171.881438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.658841 (E_RNA) where: Base-Base interactions energy: -65.836 where: short stacking energy: -32.672 Base-Backbone interact. energy: -0.002 local terms energy: -27.820669 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: -61078.223 (S_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: 410 Temperature: 1.200000 Total energy: -61803.081350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61803.081350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.981361 (E_RNA) where: Base-Base interactions energy: -65.558 where: short stacking energy: -25.797 Base-Backbone interact. energy: -0.487 local terms energy: -25.936613 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -3.505 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -6.649 Dist. restrs. and SS energy: -61711.100 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -61144.579290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61144.579290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.094345 (E_RNA) where: Base-Base interactions energy: -61.694 where: short stacking energy: -25.374 Base-Backbone interact. energy: -0.001 local terms energy: -34.399089 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -8.446 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -7.130 Dist. restrs. and SS energy: -61048.485 (S_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: 410 Temperature: 1.300000 Total energy: -61463.236994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61463.236994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.202775 (E_RNA) where: Base-Base interactions energy: -54.899 where: short stacking energy: -22.254 Base-Backbone interact. energy: -0.001 local terms energy: -22.302273 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: -61386.034 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -61258.205772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61258.205772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.932896 (E_RNA) where: Base-Base interactions energy: -57.175 where: short stacking energy: -31.496 Base-Backbone interact. energy: 0.356 local terms energy: -30.113729 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -2.273 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -9.025 Dist. restrs. and SS energy: -61171.273 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -61353.323791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61353.323791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.103820 (E_RNA) where: Base-Base interactions energy: -62.844 where: short stacking energy: -32.362 Base-Backbone interact. energy: -0.001 local terms energy: -39.259033 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -8.104 Dist. restrs. and SS energy: -61251.220 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -61314.630222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61314.630222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.647870 (E_RNA) where: Base-Base interactions energy: -73.961 where: short stacking energy: -26.281 Base-Backbone interact. energy: -0.018 local terms energy: -29.669098 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: -61210.982 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -61268.674363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61268.674363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.291820 (E_RNA) where: Base-Base interactions energy: -64.939 where: short stacking energy: -31.924 Base-Backbone interact. energy: -0.000 local terms energy: -37.352427 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -7.505 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: -61166.383 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -61569.971596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61569.971596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.573690 (E_RNA) where: Base-Base interactions energy: -64.389 where: short stacking energy: -28.829 Base-Backbone interact. energy: -0.551 local terms energy: -33.633800 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: -61471.398 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -61269.346462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61269.346462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.298310 (E_RNA) where: Base-Base interactions energy: -58.693 where: short stacking energy: -21.085 Base-Backbone interact. energy: -0.010 local terms energy: -31.595240 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: -61179.048 (S_DIST_RNA) chem. 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: -61937.660423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61937.660423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.158601 (E_RNA) where: Base-Base interactions energy: -64.517 where: short stacking energy: -35.889 Base-Backbone interact. energy: -0.000 local terms energy: -37.641621 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -9.235 Dist. restrs. and SS energy: -61835.502 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -61314.508266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61314.508266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.735814 (E_RNA) where: Base-Base interactions energy: -58.942 where: short stacking energy: -25.960 Base-Backbone interact. energy: -0.003 local terms energy: -34.790463 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -8.285 Dist. restrs. and SS energy: -61220.772 (S_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: -61616.081867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61616.081867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.112906 (E_RNA) where: Base-Base interactions energy: -64.615 where: short stacking energy: -31.832 Base-Backbone interact. energy: -0.000 local terms energy: -27.497455 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: -61523.969 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -61299.064420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61299.064420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.864805 (E_RNA) where: Base-Base interactions energy: -59.401 where: short stacking energy: -25.314 Base-Backbone interact. energy: -0.150 local terms energy: -28.313204 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -5.806 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -7.835 Dist. restrs. and SS energy: -61211.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -61427.508493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61427.508493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.013224 (E_RNA) where: Base-Base interactions energy: -56.782 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.231 local terms energy: -25.999423 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: -61344.495 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -61404.638193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61404.638193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.927864 (E_RNA) where: Base-Base interactions energy: -69.304 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.048 local terms energy: -33.575588 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: -61301.710 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -61485.224018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61485.224018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.031192 (E_RNA) where: Base-Base interactions energy: -66.013 where: short stacking energy: -29.538 Base-Backbone interact. energy: -0.397 local terms energy: -34.621960 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: -61384.193 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -61694.128756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61694.128756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.991610 (E_RNA) where: Base-Base interactions energy: -67.041 where: short stacking energy: -28.981 Base-Backbone interact. energy: -0.912 local terms energy: -29.038322 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: -61597.137 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -61421.410819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61421.410819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.566194 (E_RNA) where: Base-Base interactions energy: -66.209 where: short stacking energy: -21.163 Base-Backbone interact. energy: -0.015 local terms energy: -28.342737 where: bonds (distance) C4'-P energy: -5.319 bonds (distance) P-C4' energy: -6.707 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -7.031 Dist. restrs. and SS energy: -61326.845 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -62053.190876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62053.190876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.220043 (E_RNA) where: Base-Base interactions energy: -64.691 where: short stacking energy: -24.384 Base-Backbone interact. energy: -0.002 local terms energy: -33.527487 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -6.405 Dist. restrs. and SS energy: -61954.971 (S_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: 412 Temperature: 1.150000 Total energy: -61391.516902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61391.516902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.284968 (E_RNA) where: Base-Base interactions energy: -60.333 where: short stacking energy: -25.188 Base-Backbone interact. energy: -0.661 local terms energy: -32.290644 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -6.705 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -6.618 Dist. restrs. and SS energy: -61298.232 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -61757.136132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61757.136132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.427071 (E_RNA) where: Base-Base interactions energy: -71.934 where: short stacking energy: -27.269 Base-Backbone interact. energy: -0.579 local terms energy: -23.914047 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: -61660.709 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -61498.291925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61498.291925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.142412 (E_RNA) where: Base-Base interactions energy: -62.595 where: short stacking energy: -31.785 Base-Backbone interact. energy: -0.238 local terms energy: -34.308825 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: -61401.150 (S_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: 412 Temperature: 1.300000 Total energy: -61593.798949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61593.798949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.384758 (E_RNA) where: Base-Base interactions energy: -56.239 where: short stacking energy: -18.167 Base-Backbone interact. energy: -0.248 local terms energy: -25.897864 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: -61511.414 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -61471.574292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61471.574292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.725991 (E_RNA) where: Base-Base interactions energy: -57.691 where: short stacking energy: -18.100 Base-Backbone interact. energy: -0.007 local terms energy: -23.028388 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -2.169 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -7.933 Dist. restrs. and SS energy: -61390.848 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -61457.693833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61457.693833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.319821 (E_RNA) where: Base-Base interactions energy: -73.168 where: short stacking energy: -20.641 Base-Backbone interact. energy: -0.027 local terms energy: -30.124320 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: -61354.374 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -61788.438589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61788.438589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.441420 (E_RNA) where: Base-Base interactions energy: -67.928 where: short stacking energy: -28.604 Base-Backbone interact. energy: -0.000 local terms energy: -29.513312 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -0.948 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: -61690.997 (S_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: 413 Temperature: 1.000000 Total energy: -61592.432138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61592.432138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.523793 (E_RNA) where: Base-Base interactions energy: -61.162 where: short stacking energy: -30.020 Base-Backbone interact. energy: -0.001 local terms energy: -33.360317 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: -61497.908 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -62161.302704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62161.302704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.581661 (E_RNA) where: Base-Base interactions energy: -65.015 where: short stacking energy: -32.206 Base-Backbone interact. energy: -0.000 local terms energy: -33.566385 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.349 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -9.127 Dist. restrs. and SS energy: -62062.721 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -61523.333546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61523.333546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.219170 (E_RNA) where: Base-Base interactions energy: -73.175 where: short stacking energy: -27.529 Base-Backbone interact. energy: -0.002 local terms energy: -32.041854 where: bonds (distance) C4'-P energy: -6.152 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -6.981 Dist. restrs. and SS energy: -61418.114 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -61868.449250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61868.449250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.746312 (E_RNA) where: Base-Base interactions energy: -63.905 where: short stacking energy: -28.816 Base-Backbone interact. energy: -0.003 local terms energy: -29.838490 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: -61774.703 (S_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: 413 Temperature: 1.200000 Total energy: -61536.561281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61536.561281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.011903 (E_RNA) where: Base-Base interactions energy: -60.355 where: short stacking energy: -25.313 Base-Backbone interact. energy: -0.000 local terms energy: -29.656239 where: bonds (distance) C4'-P energy: -6.412 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -7.599 Dist. restrs. and SS energy: -61446.549 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -61805.359994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61805.359994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.279221 (E_RNA) where: Base-Base interactions energy: -60.030 where: short stacking energy: -27.029 Base-Backbone interact. energy: -0.000 local terms energy: -23.248769 where: bonds (distance) C4'-P energy: -2.893 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: 0.559 tors. eta vs tors. theta energy: -7.428 Dist. restrs. and SS energy: -61722.081 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -61680.121851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61680.121851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.404591 (E_RNA) where: Base-Base interactions energy: -58.581 where: short stacking energy: -20.690 Base-Backbone interact. energy: -0.011 local terms energy: -18.812647 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -2.962 flat angles P-C4'-P energy: -1.246 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: -61602.717 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -61774.662069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61774.662069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.694902 (E_RNA) where: Base-Base interactions energy: -55.505 where: short stacking energy: -30.305 Base-Backbone interact. energy: -0.003 local terms energy: -31.187430 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -9.407 Dist. restrs. and SS energy: -61687.967 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)